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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.23
Van der Waals volume 392.73
Polar Surface Area 94.83
Van der Waals Surface Area 585.55
Refractivity 122.89

 Top
ELEMENTAL PROPERTIESExact Mass 430.178
Isotope Formula C27H26O5
Dot Disconnected Formula C27H26O5
Dot Disconnected Isotope Formula C27H26O5
Composition C (75.33%), H (6.09%), O (18.58%)
Isotope Composition C (75.33%), H (6.09%), O (18.58%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 20
Aliphatic Bond Count 24
Aromatic Bond Count 12
Asymmetric Atom Count 5
Bond Count 62
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 5
Ring Atom Count 23
Ring Bond Count 25
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 5
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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