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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.5
Van der Waals volume 312.94
Polar Surface Area 58.92
Van der Waals Surface Area 512.69
Refractivity 94.17

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ELEMENTAL PROPERTIESExact Mass 328.167
Isotope Formula C20H24O4
Dot Disconnected Formula C20H24O4
Dot Disconnected Isotope Formula C20H24O4
Composition C (73.15%), H (7.37%), O (19.49%)
Isotope Composition C (73.15%), H (7.37%), O (19.49%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 12
Aliphatic Bond Count 14
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 50
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 3
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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