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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.6
Van der Waals volume 342.2
Polar Surface Area 147.68
Van der Waals Surface Area 516.07
Refractivity 106.33

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ELEMENTAL PROPERTIESExact Mass 410.1
Isotope Formula C22H18O8
Dot Disconnected Formula C22H18O8
Dot Disconnected Isotope Formula C22H18O8
Composition C (64.39%), H (4.42%), O (31.19%)
Isotope Composition C (64.39%), H (4.42%), O (31.19%)
Donor Sites 6
Donor Count 6
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 12
Aliphatic Bond Count 15
Aromatic Bond Count 18
Asymmetric Atom Count 2
Bond Count 51
Chain Atom Count 8
Chain Bond Count 10
Chiral Center Count 2
Ring Atom Count 22
Ring Bond Count 23
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
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 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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