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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.15
Van der Waals volume 752.68
Polar Surface Area 245.29
Van der Waals Surface Area 1197.38
Refractivity 197.02

 Top
ELEMENTAL PROPERTIESExact Mass 798.44
Isotope Formula C41H66O15
Dot Disconnected Formula C41H66O15
Dot Disconnected Isotope Formula C41H66O15
Composition C (61.64%), H (8.33%), O (30.04%)
Isotope Composition C (61.64%), H (8.33%), O (30.04%)
Donor Sites 9
Donor Count 9
Acceptor Sites 16
Acceptor Count 15


Top
TOPOLOGICAL PROPERTIESAtom Count122
Aliphatic Atom Count 56
Aliphatic Bond Count 62
Aromatic Bond Count 0
Asymmetric Atom Count 20
Bond Count 128
Chain Atom Count 22
Chain Bond Count 24
Chiral Center Count 20
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
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 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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