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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.3
Van der Waals volume 368.25
Polar Surface Area 75.99
Van der Waals Surface Area 576.7
Refractivity 115.73

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ELEMENTAL PROPERTIESExact Mass 394.178
Isotope Formula C24H26O5
Dot Disconnected Formula C24H26O5
Dot Disconnected Isotope Formula C24H26O5
Composition C (73.08%), H (6.64%), O (20.28%)
Isotope Composition C (73.08%), H (6.64%), O (20.28%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 15
Aliphatic Bond Count 15
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 57
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 5
Stereo Double Bond Count 0
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 3
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
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.