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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.42
Van der Waals volume 274.37
Polar Surface Area 105.45
Van der Waals Surface Area 421.68
Refractivity 86.1

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ELEMENTAL PROPERTIESExact Mass 330.074
Isotope Formula C17H14O7
Dot Disconnected Formula C17H14O7
Dot Disconnected Isotope Formula C17H14O7
Composition C (61.82%), H (4.27%), O (33.91%)
Isotope Composition C (61.82%), H (4.27%), O (33.91%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 40
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.