NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.29
Van der Waals volume 281.98
Polar Surface Area 83.83
Van der Waals Surface Area 440.39
Refractivity 92.14

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ELEMENTAL PROPERTIESExact Mass 306.134
Isotope Formula C16H20NO5
Dot Disconnected Formula C16H20NO5
Dot Disconnected Isotope Formula C16H20NO5
Composition C (62.73%), H (6.58%), N (4.57%), O (26.11%)
Isotope Composition C (62.73%), H (6.58%), N (4.57%), O (26.11%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 16
Aliphatic Bond Count 17
Aromatic Bond Count 6
Asymmetric Atom Count 2
Bond Count 43
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 2
Ring Atom Count 11
Ring Bond Count 11
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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