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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.12
Van der Waals volume 479.28
Polar Surface Area 40.46
Van der Waals Surface Area 805.02
Refractivity 133.68

 Top
ELEMENTAL PROPERTIESExact Mass 442.381
Isotope Formula C30H50O2
Dot Disconnected Formula C30H50O2
Dot Disconnected Isotope Formula C30H50O2
Composition C (81.39%), H (11.38%), O (7.23%)
Isotope Composition C (81.39%), H (11.38%), O (7.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


Top
TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 32
Aliphatic Bond Count 36
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 86
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 8
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
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 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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