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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.86
Van der Waals volume 335.03
Polar Surface Area 110.13
Van der Waals Surface Area 530.83
Refractivity 90.18

 Top
ELEMENTAL PROPERTIESExact Mass 366.168
Isotope Formula C19H26O7
Dot Disconnected Formula C19H26O7
Dot Disconnected Isotope Formula C19H26O7
Composition C (62.28%), H (7.15%), O (30.57%)
Isotope Composition C (62.28%), H (7.15%), O (30.57%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 54
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 7
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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