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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.36
Van der Waals volume 355.83
Polar Surface Area 72.45
Van der Waals Surface Area 588.14
Refractivity 103.9

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ELEMENTAL PROPERTIESExact Mass 400.152
Isotope Formula C22H24O7
Dot Disconnected Formula C22H24O7
Dot Disconnected Isotope Formula C22H24O7
Composition C (65.99%), H (6.04%), O (27.97%)
Isotope Composition C (65.99%), H (6.04%), O (27.97%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 56
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 2
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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