NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.1
Van der Waals volume 500.98
Polar Surface Area 80.92
Van der Waals Surface Area 820.27
Refractivity 139.71

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ELEMENTAL PROPERTIESExact Mass 474.371
Isotope Formula C30H50O4
Dot Disconnected Formula C30H50O4
Dot Disconnected Isotope Formula C30H50O4
Composition C (75.9%), H (10.62%), O (13.48%)
Isotope Composition C (75.9%), H (10.62%), O (13.48%)
Donor Sites 4
Donor Count 4
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 87
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 10
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 1
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.