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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.48
Van der Waals volume 345.41
Polar Surface Area 86.99
Van der Waals Surface Area 546.61
Refractivity 107.93

 Top
ELEMENTAL PROPERTIESExact Mass 378.147
Isotope Formula C23H22O5
Dot Disconnected Formula C23H22O5
Dot Disconnected Isotope Formula C23H22O5
Composition C (73%), H (5.86%), O (21.14%)
Isotope Composition C (73%), H (5.86%), O (21.14%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 10
Aliphatic Bond Count 12
Aromatic Bond Count 18
Asymmetric Atom Count 0
Bond Count 52
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 18
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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