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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.46
Van der Waals volume 415.43
Polar Surface Area 104.57
Van der Waals Surface Area 676.5
Refractivity 114.72

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ELEMENTAL PROPERTIESExact Mass 470.194
Isotope Formula C26H30O8
Dot Disconnected Formula C26H30O8
Dot Disconnected Isotope Formula C26H30O8
Composition C (66.37%), H (6.43%), O (27.2%)
Isotope Composition C (66.37%), H (6.43%), O (27.2%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 29
Aliphatic Bond Count 35
Aromatic Bond Count 5
Asymmetric Atom Count 9
Bond Count 70
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 9
Ring Atom Count 27
Ring Bond Count 32
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 5
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 1

 






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