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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.4
Van der Waals volume 330.53
Polar Surface Area 138.2
Van der Waals Surface Area 472.29
Refractivity 108.65

 Top
ELEMENTAL PROPERTIESExact Mass 416.053
Isotope Formula C23H12O8
Dot Disconnected Formula C23H12O8
Dot Disconnected Isotope Formula C23H12O8
Composition C (66.35%), H (2.91%), O (30.74%)
Isotope Composition C (66.35%), H (2.91%), O (30.74%)
Donor Sites 3
Donor Count 3
Acceptor Sites 12
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 9
Aliphatic Bond Count 9
Aromatic Bond Count 26
Asymmetric Atom Count 0
Bond Count 47
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 5
Carbo Ring Count 5
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 5
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 5
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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