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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.75
Van der Waals volume 461.73
Polar Surface Area 83.06
Van der Waals Surface Area 743.01
Refractivity 144.61

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ELEMENTAL PROPERTIESExact Mass 476.256
Isotope Formula C30H36O5
Dot Disconnected Formula C30H36O5
Dot Disconnected Isotope Formula C30H36O5
Composition C (75.6%), H (7.61%), O (16.78%)
Isotope Composition C (75.6%), H (7.61%), O (16.78%)
Donor Sites 3
Donor Count 3
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 20
Aliphatic Bond Count 21
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 73
Chain Atom Count 20
Chain Bond Count 21
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 9
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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