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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.51
Van der Waals volume 481.14
Polar Surface Area 77.51
Van der Waals Surface Area 771.2
Refractivity 136.07

Top
ELEMENTAL PROPERTIESExact Mass 482.303
Isotope Formula C30H42O5
Dot Disconnected Formula C30H42O5
Dot Disconnected Isotope Formula C30H42O5
Composition C (74.65%), H (8.77%), O (16.57%)
Isotope Composition C (74.65%), H (8.77%), O (16.57%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 35
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 80
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 7
Stereo Double Bond Count 0
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.