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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.72
Van der Waals volume 334.17
Polar Surface Area 64.99
Van der Waals Surface Area 525.31
Refractivity 106.09

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ELEMENTAL PROPERTIESExact Mass 366.147
Isotope Formula C22H22O5
Dot Disconnected Formula C22H22O5
Dot Disconnected Isotope Formula C22H22O5
Composition C (72.12%), H (6.05%), O (21.83%)
Isotope Composition C (72.12%), H (6.05%), O (21.83%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 51
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
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.