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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.43
Van der Waals volume 860.74
Polar Surface Area 315.21
Van der Waals Surface Area 1349.55
Refractivity 222.44

 Top
ELEMENTAL PROPERTIESExact Mass 930.482
Isotope Formula C46H74O19
Dot Disconnected Formula C46H74O19
Dot Disconnected Isotope Formula C46H74O19
Composition C (59.34%), H (8.01%), O (32.65%)
Isotope Composition C (59.34%), H (8.01%), O (32.65%)
Donor Sites 12
Donor Count 12
Acceptor Sites 20
Acceptor Count 19


Top
TOPOLOGICAL PROPERTIESAtom Count139
Aliphatic Atom Count 65
Aliphatic Bond Count 72
Aromatic Bond Count 0
Asymmetric Atom Count 25
Bond Count 146
Chain Atom Count 25
Chain Bond Count 28
Chiral Center Count 25
Ring Atom Count 40
Ring Bond Count 44
Rotatable Bond Count 8
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 6
Smallest Ring System Size 1

 






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