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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.59
Van der Waals volume 319.48
Polar Surface Area 102.29
Van der Waals Surface Area 503.78
Refractivity 87.76

 Top
ELEMENTAL PROPERTIESExact Mass 364.152
Isotope Formula C19H24O7
Dot Disconnected Formula C19H24O7
Dot Disconnected Isotope Formula C19H24O7
Composition C (62.63%), H (6.64%), O (30.74%)
Isotope Composition C (62.63%), H (6.64%), O (30.74%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 26
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 54
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 9
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.