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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.75
Van der Waals volume 342.59
Polar Surface Area 102.29
Van der Waals Surface Area 552.48
Refractivity 90.96

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ELEMENTAL PROPERTIESExact Mass 368.184
Isotope Formula C19H28O7
Dot Disconnected Formula C19H28O7
Dot Disconnected Isotope Formula C19H28O7
Composition C (61.94%), H (7.66%), O (30.4%)
Isotope Composition C (61.94%), H (7.66%), O (30.4%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 56
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 7
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 9
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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