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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.5
Van der Waals volume 357.61
Polar Surface Area 107.22
Van der Waals Surface Area 555.86
Refractivity 113.23

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ELEMENTAL PROPERTIESExact Mass 396.157
Isotope Formula C23H24O6
Dot Disconnected Formula C23H24O6
Dot Disconnected Isotope Formula C23H24O6
Composition C (69.68%), H (6.1%), O (24.22%)
Isotope Composition C (69.68%), H (6.1%), O (24.22%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 15
Aliphatic Bond Count 15
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 55
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 4
Stereo Double Bond Count 0
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 3
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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