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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.26
Van der Waals volume 478.26
Polar Surface Area 111.9
Van der Waals Surface Area 757.07
Refractivity 133.56

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ELEMENTAL PROPERTIESExact Mass 486.298
Isotope Formula C29H42O6
Dot Disconnected Formula C29H42O6
Dot Disconnected Isotope Formula C29H42O6
Composition C (71.57%), H (8.7%), O (19.73%)
Isotope Composition C (71.57%), H (8.7%), O (19.73%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 35
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 80
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 10
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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