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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.83
Van der Waals volume 278.25
Polar Surface Area 112.52
Van der Waals Surface Area 438.55
Refractivity 95.06

Top
ELEMENTAL PROPERTIESExact Mass 331.082
Isotope Formula C17H15O7
Dot Disconnected Formula C17H15O7
Dot Disconnected Isotope Formula C17H15O7
Composition C (61.63%), H (4.56%), O (33.81%)
Isotope Composition C (61.63%), H (4.56%), O (33.81%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 41
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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