You are on page 1of 2

MR abonds dbonds HBA1 HBA2 sbonds bonds atoms HBD

73.842 12 1 4 2 9 22 20 1
35.317 6 0 0 0 2 8 8 0
21.542 0 1 1 1 3 4 5 0
59.479 6 0 3 2 10 16 14 1
11.199 0 1 4 2 3 4 5 2

cmin 11.199 0 0 0 0 2 4 5 0
max 73.842 12 1 4 2 10 22 20 2

scalling 1 1 1 1 1 1 0.875 1 1 0.5


scalling 2 0.385007 0.5 0 0 0 0 0.222222 0.2 0
scalling 3 0.16511 0 1 0.25 0.5 0.125 0 0 0
scalling 4 0.770717 0.5 0 0.75 1 1 0.666667 0.6 0.5
scalling 5 0 0 1 1 1 0.125 0 0 1
nF logP title MW tbonds TPSA
0 3.669 nan 234.296 0 27.09
0 2.044 nan 105.157 0 0
0 0.985 nan 72.106 0 17.07
0 1.594 nan 173.234 0 15.27
0 0.015 nan 42.04 0 35.88

0 0.015 42.04 0 0
0 3.669 234.296 0 35.88

1 1 0.755017
0.555282 0.328297 0
0.265463 0.156385 0.475753
0.432129 0.682392 0.425585
0 0 1

You might also like