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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.63
Van der Waals volume 312.83
Polar Surface Area 110.38
Van der Waals Surface Area 492.22
Refractivity 93.39

 Top
ELEMENTAL PROPERTIESExact Mass 346.142
Isotope Formula C19H22O6
Dot Disconnected Formula C19H22O6
Dot Disconnected Isotope Formula C19H22O6
Composition C (65.88%), H (6.4%), O (27.71%)
Isotope Composition C (65.88%), H (6.4%), O (27.71%)
Donor Sites 5
Donor Count 5
Acceptor Sites 6
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 13
Aliphatic Bond Count 15
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 49
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 3
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
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 6
Smallest Ring System Size 1

 






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