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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.51
Van der Waals volume 267.5
Polar Surface Area 65.74
Van der Waals Surface Area 385.46
Refractivity 86.81

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ELEMENTAL PROPERTIESExact Mass 334.084
Isotope Formula C20H14O5
Dot Disconnected Formula C20H14O5
Dot Disconnected Isotope Formula C20H14O5
Composition C (71.85%), H (4.22%), O (23.93%)
Isotope Composition C (71.85%), H (4.22%), O (23.93%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 20
Aliphatic Bond Count 26
Aromatic Bond Count 5
Asymmetric Atom Count 5
Bond Count 45
Chain Atom Count 2
Chain Bond Count 3
Chiral Center Count 5
Ring Atom Count 23
Ring Bond Count 28
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 1

 






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