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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.31
Van der Waals volume 337.62
Polar Surface Area 175.37
Van der Waals Surface Area 516.57
Refractivity 87.26

Top
ELEMENTAL PROPERTIESExact Mass 402.116
Isotope Formula C17H22O11
Dot Disconnected Formula C17H22O11
Dot Disconnected Isotope Formula C17H22O11
Composition C (50.75%), H (5.51%), O (43.74%)
Isotope Composition C (50.75%), H (5.51%), O (43.74%)
Donor Sites 6
Donor Count 6
Acceptor Sites 11
Acceptor Count 10


Top
TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 6
Asymmetric Atom Count 9
Bond Count 52
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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