NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.63
Van der Waals volume 834.72
Polar Surface Area 254.52
Van der Waals Surface Area 1319.33
Refractivity 217.96

 Top
ELEMENTAL PROPERTIESExact Mass 882.498
Isotope Formula C46H74O16
Dot Disconnected Formula C46H74O16
Dot Disconnected Isotope Formula C46H74O16
Composition C (62.56%), H (8.45%), O (28.99%)
Isotope Composition C (62.56%), H (8.45%), O (28.99%)
Donor Sites 9
Donor Count 9
Acceptor Sites 17
Acceptor Count 16


Top
TOPOLOGICAL PROPERTIESAtom Count136
Aliphatic Atom Count 62
Aliphatic Bond Count 69
Aromatic Bond Count 0
Asymmetric Atom Count 25
Bond Count 143
Chain Atom Count 23
Chain Bond Count 26
Chiral Center Count 25
Ring Atom Count 39
Ring Bond Count 43
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.