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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.1
Van der Waals volume 323.37
Polar Surface Area 74.6
Van der Waals Surface Area 520.31
Refractivity 93.86

 Top
ELEMENTAL PROPERTIESExact Mass 332.199
Isotope Formula C20H28O4
Dot Disconnected Formula C20H28O4
Dot Disconnected Isotope Formula C20H28O4
Composition C (72.26%), H (8.49%), O (19.25%)
Isotope Composition C (72.26%), H (8.49%), O (19.25%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 24
Aliphatic Bond Count 26
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 54
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 5
Ring Atom Count 15
Ring Bond Count 17
Rotatable Bond Count 0
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
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 11
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.