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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.31
Van der Waals volume 331.72
Polar Surface Area 72.45
Van der Waals Surface Area 534.06
Refractivity 103.38

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ELEMENTAL PROPERTIESExact Mass 394.105
Isotope Formula C22H18O7
Dot Disconnected Formula C22H18O7
Dot Disconnected Isotope Formula C22H18O7
Composition C (67%), H (4.6%), O (28.4%)
Isotope Composition C (67%), H (4.6%), O (28.4%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 13
Aliphatic Bond Count 16
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 51
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 2

 






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