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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.5
Van der Waals volume 429.1
Polar Surface Area 114.68
Van der Waals Surface Area 689.03
Refractivity 129

 Top
ELEMENTAL PROPERTIESExact Mass 480.178
Isotope Formula C27H28O8
Dot Disconnected Formula C27H28O8
Dot Disconnected Isotope Formula C27H28O8
Composition C (67.49%), H (5.87%), O (26.64%)
Isotope Composition C (67.49%), H (5.87%), O (26.64%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 18
Asymmetric Atom Count 3
Bond Count 66
Chain Atom Count 12
Chain Bond Count 15
Chiral Center Count 3
Ring Atom Count 23
Ring Bond Count 23
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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