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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.95
Van der Waals volume 338.39
Polar Surface Area 102.43
Van der Waals Surface Area 510.96
Refractivity 95.84

 Top
ELEMENTAL PROPERTIESExact Mass 376.152
Isotope Formula C20H24O7
Dot Disconnected Formula C20H24O7
Dot Disconnected Isotope Formula C20H24O7
Composition C (63.82%), H (6.43%), O (29.75%)
Isotope Composition C (63.82%), H (6.43%), O (29.75%)
Donor Sites 1
Donor Count 1
Acceptor Sites 8
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 27
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 53
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 7
Ring Atom Count 11
Ring Bond Count 13
Rotatable Bond Count 5
Stereo Double Bond Count 2
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 3
Smallest Ring System Size 3

 






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