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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.89
Van der Waals volume 435.77
Polar Surface Area 103.68
Van der Waals Surface Area 697.46
Refractivity 129.42

 Top
ELEMENTAL PROPERTIESExact Mass 492.178
Isotope Formula C28H28O8
Dot Disconnected Formula C28H28O8
Dot Disconnected Isotope Formula C28H28O8
Composition C (68.28%), H (5.73%), O (25.99%)
Isotope Composition C (68.28%), H (5.73%), O (25.99%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 18
Aliphatic Bond Count 22
Aromatic Bond Count 18
Asymmetric Atom Count 5
Bond Count 68
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 5
Ring Atom Count 24
Ring Bond Count 26
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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