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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.04
Van der Waals volume 617.97
Polar Surface Area 104.06
Van der Waals Surface Area 983.17
Refractivity 176.95

Top
ELEMENTAL PROPERTIESExact Mass 618.392
Isotope Formula C39H54O6
Dot Disconnected Formula C39H54O6
Dot Disconnected Isotope Formula C39H54O6
Composition C (75.69%), H (8.8%), O (15.51%)
Isotope Composition C (75.69%), H (8.8%), O (15.51%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count99
Aliphatic Atom Count 39
Aliphatic Bond Count 44
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 104
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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