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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.44
Van der Waals volume 327.78
Polar Surface Area 83.83
Van der Waals Surface Area 542.56
Refractivity 95.06

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ELEMENTAL PROPERTIESExact Mass 346.178
Isotope Formula C20H26O5
Dot Disconnected Formula C20H26O5
Dot Disconnected Isotope Formula C20H26O5
Composition C (69.34%), H (7.56%), O (23.09%)
Isotope Composition C (69.34%), H (7.56%), O (23.09%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 19
Aliphatic Bond Count 21
Aromatic Bond Count 6
Asymmetric Atom Count 2
Bond Count 53
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 2
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
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.