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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.86
Van der Waals volume 330.16
Polar Surface Area 62.16
Van der Waals Surface Area 526.24
Refractivity 104.14

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ELEMENTAL PROPERTIESExact Mass 365.163
Isotope Formula C22H23NO4
Dot Disconnected Formula C22H23NO4
Dot Disconnected Isotope Formula C22H23NO4
Composition C (72.31%), H (6.34%), N (3.83%), O (17.51%)
Isotope Composition C (72.31%), H (6.34%), N (3.83%), O (17.51%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 13
Aliphatic Bond Count 15
Aromatic Bond Count 16
Asymmetric Atom Count 3
Bond Count 54
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 3
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 3
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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