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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.97
Van der Waals volume 572.29
Polar Surface Area 171.83
Van der Waals Surface Area 913.08
Refractivity 161.98

 Top
ELEMENTAL PROPERTIESExact Mass 654.231
Isotope Formula C34H38O13
Dot Disconnected Formula C34H38O13
Dot Disconnected Isotope Formula C34H38O13
Composition C (62.38%), H (5.85%), O (31.77%)
Isotope Composition C (62.38%), H (5.85%), O (31.77%)
Donor Sites 4
Donor Count 4
Acceptor Sites 13
Acceptor Count 12


Top
TOPOLOGICAL PROPERTIESAtom Count85
Aliphatic Atom Count 29
Aliphatic Bond Count 34
Aromatic Bond Count 18
Asymmetric Atom Count 9
Bond Count 90
Chain Atom Count 17
Chain Bond Count 20
Chiral Center Count 9
Ring Atom Count 30
Ring Bond Count 32
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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