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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.77
Van der Waals volume 433.21
Polar Surface Area 85.22
Van der Waals Surface Area 691.74
Refractivity 127.79

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ELEMENTAL PROPERTIESExact Mass 464.22
Isotope Formula C28H32O6
Dot Disconnected Formula C28H32O6
Dot Disconnected Isotope Formula C28H32O6
Composition C (72.39%), H (6.94%), O (20.66%)
Isotope Composition C (72.39%), H (6.94%), O (20.66%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 28
Aliphatic Bond Count 33
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 71
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 8
Ring Atom Count 24
Ring Bond Count 28
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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