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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.17
Van der Waals volume 554.62
Polar Surface Area 99.38
Van der Waals Surface Area 862.16
Refractivity 173.22

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ELEMENTAL PROPERTIESExact Mass 592.282
Isotope Formula C38H40O6
Dot Disconnected Formula C38H40O6
Dot Disconnected Isotope Formula C38H40O6
Composition C (77%), H (6.8%), O (16.2%)
Isotope Composition C (77%), H (6.8%), O (16.2%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 20
Aliphatic Bond Count 25
Aromatic Bond Count 24
Asymmetric Atom Count 6
Bond Count 89
Chain Atom Count 10
Chain Bond Count 14
Chiral Center Count 6
Ring Atom Count 34
Ring Bond Count 35
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
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.