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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.83
Van der Waals volume 278.25
Polar Surface Area 112.52
Van der Waals Surface Area 438.55
Refractivity 95.06

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ELEMENTAL PROPERTIESExact Mass 331.082
Isotope Formula C17H15O7
Dot Disconnected Formula C17H15O7
Dot Disconnected Isotope Formula C17H15O7
Composition C (61.63%), H (4.56%), O (33.81%)
Isotope Composition C (61.63%), H (4.56%), O (33.81%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 41
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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