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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.77
Van der Waals volume 373.23
Polar Surface Area 75.99
Van der Waals Surface Area 584.88
Refractivity 117.95

 Top
ELEMENTAL PROPERTIESExact Mass 406.178
Isotope Formula C25H26O5
Dot Disconnected Formula C25H26O5
Dot Disconnected Isotope Formula C25H26O5
Composition C (73.87%), H (6.45%), O (19.68%)
Isotope Composition C (73.87%), H (6.45%), O (19.68%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 18
Aliphatic Bond Count 21
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 59
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 1
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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