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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.34
Van der Waals volume 529.65
Polar Surface Area 77.76
Van der Waals Surface Area 833.97
Refractivity 167.9

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ELEMENTAL PROPERTIESExact Mass 528.324
Isotope Formula C35H44O4
Dot Disconnected Formula C35H44O4
Dot Disconnected Isotope Formula C35H44O4
Composition C (79.51%), H (8.39%), O (12.1%)
Isotope Composition C (79.51%), H (8.39%), O (12.1%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 29
Aliphatic Bond Count 30
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 85
Chain Atom Count 25
Chain Bond Count 25
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 8
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.