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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.75
Van der Waals volume 390.09
Polar Surface Area 36.92
Van der Waals Surface Area 626.83
Refractivity 121.43

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ELEMENTAL PROPERTIESExact Mass 406.214
Isotope Formula C26H30O4
Dot Disconnected Formula C26H30O4
Dot Disconnected Isotope Formula C26H30O4
Composition C (76.82%), H (7.44%), O (15.74%)
Isotope Composition C (76.82%), H (7.44%), O (15.74%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 18
Aliphatic Bond Count 21
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 63
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 5
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 5
Smallest Ring System Size 4

 






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