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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.34
Van der Waals volume 622.75
Polar Surface Area 116.45
Van der Waals Surface Area 1043.89
Refractivity 170.46

 Top
ELEMENTAL PROPERTIESExact Mass 594.45
Isotope Formula C35H62O7
Dot Disconnected Formula C35H62O7
Dot Disconnected Isotope Formula C35H62O7
Composition C (70.67%), H (10.51%), O (18.83%)
Isotope Composition C (70.67%), H (10.51%), O (18.83%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count104
Aliphatic Atom Count 42
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 105
Chain Atom Count 32
Chain Bond Count 33
Chiral Center Count 7
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 25
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
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 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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