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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.16
Van der Waals volume 349.18
Polar Surface Area 86.99
Van der Waals Surface Area 546.06
Refractivity 111.24

 Top
ELEMENTAL PROPERTIESExact Mass 380.162
Isotope Formula C23H24O5
Dot Disconnected Formula C23H24O5
Dot Disconnected Isotope Formula C23H24O5
Composition C (72.61%), H (6.36%), O (21.03%)
Isotope Composition C (72.61%), H (6.36%), O (21.03%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 14
Aliphatic Bond Count 14
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 54
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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