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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.02
Van der Waals volume 385.47
Polar Surface Area 208.12
Van der Waals Surface Area 564.7
Refractivity 113.27

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ELEMENTAL PROPERTIESExact Mass 474.08
Isotope Formula C22H18O12
Dot Disconnected Formula C22H18O12
Dot Disconnected Isotope Formula C22H18O12
Composition C (55.7%), H (3.82%), O (40.47%)
Isotope Composition C (55.7%), H (3.82%), O (40.47%)
Donor Sites 6
Donor Count 6
Acceptor Sites 14
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 22
Aliphatic Bond Count 23
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 53
Chain Atom Count 22
Chain Bond Count 23
Chiral Center Count 2
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 11
Stereo Double Bond Count 2
Aliphatic Ring Count 0
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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