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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.48
Van der Waals volume 345.41
Polar Surface Area 86.99
Van der Waals Surface Area 546.61
Refractivity 107.93

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ELEMENTAL PROPERTIESExact Mass 378.147
Isotope Formula C23H22O5
Dot Disconnected Formula C23H22O5
Dot Disconnected Isotope Formula C23H22O5
Composition C (73%), H (5.86%), O (21.14%)
Isotope Composition C (73%), H (5.86%), O (21.14%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 10
Aliphatic Bond Count 12
Aromatic Bond Count 18
Asymmetric Atom Count 0
Bond Count 52
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 18
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
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 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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