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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.32
Van der Waals volume 345.47
Polar Surface Area 63.22
Van der Waals Surface Area 543.31
Refractivity 105.71

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ELEMENTAL PROPERTIESExact Mass 394.142
Isotope Formula C23H22O6
Dot Disconnected Formula C23H22O6
Dot Disconnected Isotope Formula C23H22O6
Composition C (70.04%), H (5.62%), O (24.34%)
Isotope Composition C (70.04%), H (5.62%), O (24.34%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 17
Aliphatic Bond Count 21
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 55
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 3
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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