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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.87
Van der Waals volume 379.55
Polar Surface Area 66.76
Van der Waals Surface Area 611.66
Refractivity 112.85

 Top
ELEMENTAL PROPERTIESExact Mass 384.23
Isotope Formula C24H32O4
Dot Disconnected Formula C24H32O4
Dot Disconnected Isotope Formula C24H32O4
Composition C (74.97%), H (8.39%), O (16.64%)
Isotope Composition C (74.97%), H (8.39%), O (16.64%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 6
Asymmetric Atom Count 4
Bond Count 62
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 4
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 5
Stereo Double Bond Count 2
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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