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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.93
Van der Waals volume 1040.81
Polar Surface Area 391.2
Van der Waals Surface Area 1642.24
Refractivity 73.66

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ELEMENTAL PROPERTIESExact Mass 1132.57
Isotope Formula C55H88O24
Dot Disconnected Formula C55H88O24
Dot Disconnected Isotope Formula C55H88O24
Composition C (58.29%), H (7.83%), O (33.88%)
Isotope Composition C (58.29%), H (7.83%), O (33.88%)
Donor Sites 14
Donor Count 14
Acceptor Sites 25
Acceptor Count 23


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TOPOLOGICAL PROPERTIESAtom Count167
Aliphatic Atom Count 79
Aliphatic Bond Count 87
Aromatic Bond Count 0
Asymmetric Atom Count 28
Bond Count 175
Chain Atom Count 33
Chain Bond Count 37
Chiral Center Count 28
Ring Atom Count 46
Ring Bond Count 50
Rotatable Bond Count 14
Stereo Double Bond Count 0
Aliphatic Ring Count 9
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 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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