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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.51
Van der Waals volume 349.42
Polar Surface Area 40.16
Van der Waals Surface Area 584
Refractivity 105.83

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ELEMENTAL PROPERTIESExact Mass 369.194
Isotope Formula C22H27NO4
Dot Disconnected Formula C22H27NO4
Dot Disconnected Isotope Formula C22H27NO4
Composition C (71.52%), H (7.37%), N (3.79%), O (17.32%)
Isotope Composition C (71.52%), H (7.37%), N (3.79%), O (17.32%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 15
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 57
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 3
Ring Atom Count 18
Ring Bond Count 21
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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