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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.73
Van der Waals volume 801.99
Polar Surface Area 157.77
Van der Waals Surface Area 1300.09
Refractivity 226.87

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ELEMENTAL PROPERTIESExact Mass 773.544
Isotope Formula C45H75NO9
Dot Disconnected Formula C45H75NO9
Dot Disconnected Isotope Formula C45H75NO9
Composition C (69.82%), H (9.77%), N (1.81%), O (18.6%)
Isotope Composition C (69.82%), H (9.77%), N (1.81%), O (18.6%)
Donor Sites 5
Donor Count 4
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count130
Aliphatic Atom Count 55
Aliphatic Bond Count 55
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 130
Chain Atom Count 49
Chain Bond Count 49
Chiral Center Count 6
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 35
Stereo Double Bond Count 6
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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