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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.42
Van der Waals volume 393.34
Polar Surface Area 91.67
Van der Waals Surface Area 623.63
Refractivity 109.98

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ELEMENTAL PROPERTIESExact Mass 402.241
Isotope Formula C24H34O5
Dot Disconnected Formula C24H34O5
Dot Disconnected Isotope Formula C24H34O5
Composition C (71.61%), H (8.51%), O (19.87%)
Isotope Composition C (71.61%), H (8.51%), O (19.87%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 29
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 66
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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