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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.54
Van der Waals volume 471.79
Polar Surface Area 140.98
Van der Waals Surface Area 699.74
Refractivity 152.99

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ELEMENTAL PROPERTIESExact Mass 566.121
Isotope Formula C32H22O10
Dot Disconnected Formula C32H22O10
Dot Disconnected Isotope Formula C32H22O10
Composition C (67.84%), H (3.91%), O (28.24%)
Isotope Composition C (67.84%), H (3.91%), O (28.24%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 10
Aliphatic Bond Count 13
Aromatic Bond Count 34
Asymmetric Atom Count 0
Bond Count 69
Chain Atom Count 10
Chain Bond Count 13
Chiral Center Count 0
Ring Atom Count 32
Ring Bond Count 34
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 6
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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