MARIAM JABEEN BEG 3 BP-1901132 (4 PROF F) >MORNING. — PDs: Sdentifyin 4 te ockine confovmrotion. Hea ph amd wanite we Wont aad igen frond thu. ; tA pacllewr erltournct Ua f . FS Laying i : a eae oe a aotee ui when tt ye t : a € le: ota oe casio § i ity" g) » X- ies thy cam be, tetany or embh ne anole wesDEETCKOHAEPOOe: 4 HO. OOANSG \ 7 oe Ga Fy a er BPOoQ09 = Enter a list of SMILES here: loc (execceut Jer=ce (=ic2=C (C=cc=ci2)¢(F) (FIFE (PF ©HOOo iter Sob Log 5 (ESOL) © 449 ‘soubily 1.23e.02 mgim| 926-95 mon ‘ nm st cass @ Moderately soluble ‘a Log $ (an) @ 426 Soubily 2.10602 gi .556-95 molt 4 Class © Moderately soluble sou foun Log S(SLICOSI)® 610 Solbity $8.036-04 maim; 8.26.97 moth a class © Poorly sole SMILES OC{ctex{nezetocec2O(FYFIFIOIFIFIFICICCCON cies ® ia BBB permeant © Ne Formula cr7mtoreNzo as ° a Molecular weight 37831 gmat enpzatener’ ie Heemelnst oie ‘ CYP2C19 inhibitor © No Im, arom. heavy atoms, Ee a eis | te Num rotaablebords 4 ‘Num, Hebond acceotors 8 GYPSAC intitor © Yes ‘Num, H-bond doners 2 Log (kin pemeation)® 608 ams ‘Molar Retracthity e651 — tesa® 4515 Lupine eyes ee Activate ‘Log Foy (LOGP) © 270 Veter @ Go to Setting 129 Fo RLOGPS)® 362 Eon @ Ne 1 olaton: WLOGP>5.68 som ae Musaae © YesFormula corrHiersw20. Molecular welght 378.31 gro! ‘Num, neavy tems ~ Num, arom heavy atoms 10 Fraction Cap3 oar Num.rtatbiebonés Num, Hebond acceptors 8 Num. H.bond conors 2 Molar Retactty TPSA® pop 09 Foy (OCP) Leg Pew OLOGPS)® 3.82 Log Pe (MLosP}® 6.08, Leg Poy MLOGP)® 3.48, Log Pow (SILICOSIT)® 4.80 consencus Log Pow ® —A18 agp substate © ‘CYPtA2 inhibitor © GyP2ct9inhibtor © ‘GYP2C9 inhibitor © ‘CYP206 inhibitor © ‘CYPOAA inhibitor © Log (skin permeation) © Yes No No No Yes ves 606 emis Yes: Ovieation ‘No; 1 olavon: WLOGP>5.6 Yes No; 1 wolavon: WLOGP>6.88 Yes 055 alert alert ‘No; 2 wolavons: miw>s80, XLOGPS>3.5 925