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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.58
Van der Waals volume 358.57
Polar Surface Area 63.22
Van der Waals Surface Area 598.78
Refractivity 104.6

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ELEMENTAL PROPERTIESExact Mass 386.173
Isotope Formula C22H26O6
Dot Disconnected Formula C22H26O6
Dot Disconnected Isotope Formula C22H26O6
Composition C (68.38%), H (6.78%), O (24.84%)
Isotope Composition C (68.38%), H (6.78%), O (24.84%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 16
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 56
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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