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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.63
Van der Waals volume 341.15
Polar Surface Area 104.06
Van der Waals Surface Area 526.36
Refractivity 92.99

 Top
ELEMENTAL PROPERTIESExact Mass 364.189
Isotope Formula C20H28O6
Dot Disconnected Formula C20H28O6
Dot Disconnected Isotope Formula C20H28O6
Composition C (65.91%), H (7.74%), O (26.34%)
Isotope Composition C (65.91%), H (7.74%), O (26.34%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 57
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 10
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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