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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.75
Van der Waals volume 309.46
Polar Surface Area 58.56
Van der Waals Surface Area 518.38
Refractivity 90.32

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ELEMENTAL PROPERTIESExact Mass 305.199
Isotope Formula C18H27NO3
Dot Disconnected Formula C18H27NO3
Dot Disconnected Isotope Formula C18H27NO3
Composition C (70.79%), H (8.91%), N (4.59%), O (15.72%)
Isotope Composition C (70.79%), H (8.91%), N (4.59%), O (15.72%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 16
Aliphatic Bond Count 16
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 49
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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