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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.23
Van der Waals volume 644.03
Polar Surface Area 164.37
Van der Waals Surface Area 1062.37
Refractivity 170.18

 Top
ELEMENTAL PROPERTIESExact Mass 678.398
Isotope Formula C37H58O11
Dot Disconnected Formula C37H58O11
Dot Disconnected Isotope Formula C37H58O11
Composition C (65.46%), H (8.61%), O (25.93%)
Isotope Composition C (65.46%), H (8.61%), O (25.93%)
Donor Sites 5
Donor Count 5
Acceptor Sites 11
Acceptor Count 10


Top
TOPOLOGICAL PROPERTIESAtom Count106
Aliphatic Atom Count 48
Aliphatic Bond Count 55
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 113
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 18
Ring Atom Count 31
Ring Bond Count 37
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 7
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 7
Ring Count 8
Smallest Ring Size 3
Smallest Ring System Size 1

 






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