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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.9
Van der Waals volume 514.7
Polar Surface Area 183.21
Van der Waals Surface Area 808.33
Refractivity 138.33

 Top
ELEMENTAL PROPERTIESExact Mass 566.273
Isotope Formula C29H42O11
Dot Disconnected Formula C29H42O11
Dot Disconnected Isotope Formula C29H42O11
Composition C (61.47%), H (7.47%), O (31.06%)
Isotope Composition C (61.47%), H (7.47%), O (31.06%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 10


Top
TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 40
Aliphatic Bond Count 45
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 87
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 13
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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