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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.83
Van der Waals volume 734.46
Polar Surface Area 196.99
Van der Waals Surface Area 1187.88
Refractivity 193.65

 Top
ELEMENTAL PROPERTIESExact Mass 768.466
Isotope Formula C41H68O13
Dot Disconnected Formula C41H68O13
Dot Disconnected Isotope Formula C41H68O13
Composition C (64.04%), H (8.91%), O (27.05%)
Isotope Composition C (64.04%), H (8.91%), O (27.05%)
Donor Sites 7
Donor Count 7
Acceptor Sites 13
Acceptor Count 13


Top
TOPOLOGICAL PROPERTIESAtom Count122
Aliphatic Atom Count 54
Aliphatic Bond Count 61
Aromatic Bond Count 0
Asymmetric Atom Count 22
Bond Count 129
Chain Atom Count 17
Chain Bond Count 19
Chiral Center Count 22
Ring Atom Count 37
Ring Bond Count 42
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 8
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 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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