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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.89
Van der Waals volume 492.02
Polar Surface Area 212.67
Van der Waals Surface Area 724.66
Refractivity 148.84

 Top
ELEMENTAL PROPERTIESExact Mass 594.137
Isotope Formula C30H26O13
Dot Disconnected Formula C30H26O13
Dot Disconnected Isotope Formula C30H26O13
Composition C (60.61%), H (4.41%), O (34.98%)
Isotope Composition C (60.61%), H (4.41%), O (34.98%)
Donor Sites 7
Donor Count 7
Acceptor Sites 14
Acceptor Count 12


Top
TOPOLOGICAL PROPERTIESAtom Count69
Aliphatic Atom Count 21
Aliphatic Bond Count 24
Aromatic Bond Count 23
Asymmetric Atom Count 5
Bond Count 73
Chain Atom Count 15
Chain Bond Count 18
Chiral Center Count 5
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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