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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.23
Van der Waals volume 421.53
Polar Surface Area 79.29
Van der Waals Surface Area 686.07
Refractivity 122.8

 Top
ELEMENTAL PROPERTIESExact Mass 418.272
Isotope Formula C25H38O5
Dot Disconnected Formula C25H38O5
Dot Disconnected Isotope Formula C25H38O5
Composition C (71.74%), H (9.15%), O (19.11%)
Isotope Composition C (71.74%), H (9.15%), O (19.11%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count68
Aliphatic Atom Count 30
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 69
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 4
Ring Atom Count 12
Ring Bond Count 13
Rotatable Bond Count 7
Stereo Double Bond Count 3
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
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 11
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 3
Smallest Ring System Size 2

 






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