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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.2
Van der Waals volume 328.14
Polar Surface Area 122.52
Van der Waals Surface Area 509.86
Refractivity 89.18

 Top
ELEMENTAL PROPERTIESExact Mass 380.147
Isotope Formula C19H24O8
Dot Disconnected Formula C19H24O8
Dot Disconnected Isotope Formula C19H24O8
Composition C (59.99%), H (6.36%), O (33.65%)
Isotope Composition C (59.99%), H (6.36%), O (33.65%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 27
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 55
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 22
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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