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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.49
Van der Waals volume 527.29
Polar Surface Area 100.9
Van der Waals Surface Area 830.45
Refractivity 150.91

 Top
ELEMENTAL PROPERTIESExact Mass 526.329
Isotope Formula C32H46O6
Dot Disconnected Formula C32H46O6
Dot Disconnected Isotope Formula C32H46O6
Composition C (72.97%), H (8.8%), O (18.23%)
Isotope Composition C (72.97%), H (8.8%), O (18.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 38
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 86
Chain Atom Count 24
Chain Bond Count 25
Chiral Center Count 6
Ring Atom Count 14
Ring Bond Count 15
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 4
Smallest Ring System Size 1

 






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