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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.77
Van der Waals volume 584.21
Polar Surface Area 183.21
Van der Waals Surface Area 901.07
Refractivity 163.22

 Top
ELEMENTAL PROPERTIESExact Mass 632.32
Isotope Formula C34H48O11
Dot Disconnected Formula C34H48O11
Dot Disconnected Isotope Formula C34H48O11
Composition C (64.54%), H (7.65%), O (27.81%)
Isotope Composition C (64.54%), H (7.65%), O (27.81%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 10


Top
TOPOLOGICAL PROPERTIESAtom Count93
Aliphatic Atom Count 45
Aliphatic Bond Count 50
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 98
Chain Atom Count 16
Chain Bond Count 18
Chiral Center Count 14
Ring Atom Count 29
Ring Bond Count 32
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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