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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.75
Van der Waals volume 461.73
Polar Surface Area 83.06
Van der Waals Surface Area 743.01
Refractivity 144.61

Top
ELEMENTAL PROPERTIESExact Mass 476.256
Isotope Formula C30H36O5
Dot Disconnected Formula C30H36O5
Dot Disconnected Isotope Formula C30H36O5
Composition C (75.6%), H (7.61%), O (16.78%)
Isotope Composition C (75.6%), H (7.61%), O (16.78%)
Donor Sites 3
Donor Count 3
Acceptor Sites 4
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 20
Aliphatic Bond Count 21
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 73
Chain Atom Count 20
Chain Bond Count 21
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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