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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.46
Van der Waals volume 445.74
Polar Surface Area 159.82
Van der Waals Surface Area 682.58
Refractivity 129.99

 Top
ELEMENTAL PROPERTIESExact Mass 512.168
Isotope Formula C27H28O10
Dot Disconnected Formula C27H28O10
Dot Disconnected Isotope Formula C27H28O10
Composition C (63.28%), H (5.51%), O (31.22%)
Isotope Composition C (63.28%), H (5.51%), O (31.22%)
Donor Sites 4
Donor Count 4
Acceptor Sites 11
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 25
Aliphatic Bond Count 28
Aromatic Bond Count 12
Asymmetric Atom Count 6
Bond Count 68
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 6
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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