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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.48
Van der Waals volume 457.08
Polar Surface Area 20.23
Van der Waals Surface Area 758.33
Refractivity 130.88

 Top
ELEMENTAL PROPERTIESExact Mass 412.371
Isotope Formula C29H48O
Dot Disconnected Formula C29H48O
Dot Disconnected Isotope Formula C29H48O
Composition C (84.4%), H (11.72%), O (3.88%)
Isotope Composition C (84.4%), H (11.72%), O (3.88%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


Top
TOPOLOGICAL PROPERTIESAtom Count78
Aliphatic Atom Count 30
Aliphatic Bond Count 33
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 81
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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