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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.59
Van der Waals volume 673.5
Polar Surface Area 160.96
Van der Waals Surface Area 1062.53
Refractivity 188.16

 Top
ELEMENTAL PROPERTIESExact Mass 732.315
Isotope Formula C41H48O12
Dot Disconnected Formula C41H48O12
Dot Disconnected Isotope Formula C41H48O12
Composition C (67.2%), H (6.6%), O (26.2%)
Isotope Composition C (67.2%), H (6.6%), O (26.2%)
Donor Sites 1
Donor Count 1
Acceptor Sites 12
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count101
Aliphatic Atom Count 41
Aliphatic Bond Count 46
Aromatic Bond Count 12
Asymmetric Atom Count 10
Bond Count 106
Chain Atom Count 24
Chain Bond Count 26
Chiral Center Count 10
Ring Atom Count 29
Ring Bond Count 32
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 2
Carbo Ring Count 5
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 2
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 8
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.