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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.69
Van der Waals volume 619.12
Polar Surface Area 73.22
Van der Waals Surface Area 959.27
Refractivity 194.03

 Top
ELEMENTAL PROPERTIESExact Mass 600.418
Isotope Formula C40H56O4
Dot Disconnected Formula C40H56O4
Dot Disconnected Isotope Formula C40H56O4
Composition C (79.96%), H (9.39%), O (10.65%)
Isotope Composition C (79.96%), H (9.39%), O (10.65%)
Donor Sites 3
Donor Count 3
Acceptor Sites 4
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 44
Aliphatic Bond Count 46
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 102
Chain Atom Count 31
Chain Bond Count 32
Chiral Center Count 5
Ring Atom Count 13
Ring Bond Count 14
Rotatable Bond Count 9
Stereo Double Bond Count 8
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 3
Smallest Ring System Size 1

 






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