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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6
Van der Waals volume 373.83
Polar Surface Area 77.76
Van der Waals Surface Area 578.03
Refractivity 120.1

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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 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 19
Aliphatic Bond Count 20
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 59
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 4
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 2
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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