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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.82
Van der Waals volume 371.58
Polar Surface Area 58.92
Van der Waals Surface Area 581.09
Refractivity 117.06

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ELEMENTAL PROPERTIESExact Mass 392.199
Isotope Formula C25H28O4
Dot Disconnected Formula C25H28O4
Dot Disconnected Isotope Formula C25H28O4
Composition C (76.5%), H (7.19%), O (16.31%)
Isotope Composition C (76.5%), H (7.19%), O (16.31%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 60
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 20
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 5
Smallest Ring System Size 4

 






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