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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.33
Van der Waals volume 442.68
Polar Surface Area 74.6
Van der Waals Surface Area 688.31
Refractivity 132.75

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ELEMENTAL PROPERTIESExact Mass 450.277
Isotope Formula C29H38O4
Dot Disconnected Formula C29H38O4
Dot Disconnected Isotope Formula C29H38O4
Composition C (77.3%), H (8.5%), O (14.2%)
Isotope Composition C (77.3%), H (8.5%), O (14.2%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 75
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 6
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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