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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.45
Van der Waals volume 726.41
Polar Surface Area 195.6
Van der Waals Surface Area 1173.64
Refractivity 192.72

 Top
ELEMENTAL PROPERTIESExact Mass 750.455
Isotope Formula C41H66O12
Dot Disconnected Formula C41H66O12
Dot Disconnected Isotope Formula C41H66O12
Composition C (65.57%), H (8.86%), O (25.57%)
Isotope Composition C (65.57%), H (8.86%), O (25.57%)
Donor Sites 7
Donor Count 7
Acceptor Sites 13
Acceptor Count 12


Top
TOPOLOGICAL PROPERTIESAtom Count119
Aliphatic Atom Count 53
Aliphatic Bond Count 59
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 125
Chain Atom Count 19
Chain Bond Count 21
Chiral Center Count 18
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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