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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.01
Van der Waals volume 405.06
Polar Surface Area 96.22
Van der Waals Surface Area 622.66
Refractivity 127.45

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ELEMENTAL PROPERTIESExact Mass 436.189
Isotope Formula C26H28O6
Dot Disconnected Formula C26H28O6
Dot Disconnected Isotope Formula C26H28O6
Composition C (71.54%), H (6.47%), O (21.99%)
Isotope Composition C (71.54%), H (6.47%), O (21.99%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 16
Aliphatic Bond Count 17
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 62
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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