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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.1
Van der Waals volume 374.87
Polar Surface Area 116.45
Van der Waals Surface Area 595.51
Refractivity 105.27

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ELEMENTAL PROPERTIESExact Mass 394.199
Isotope Formula C21H30O7
Dot Disconnected Formula C21H30O7
Dot Disconnected Isotope Formula C21H30O7
Composition C (63.94%), H (7.67%), O (28.39%)
Isotope Composition C (63.94%), H (7.67%), O (28.39%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 22
Aliphatic Bond Count 23
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 59
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 5
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 7
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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