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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.19
Van der Waals volume 410.56
Polar Surface Area 110.13
Van der Waals Surface Area 658.43
Refractivity 110.87

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ELEMENTAL PROPERTIESExact Mass 434.23
Isotope Formula C24H34O7
Dot Disconnected Formula C24H34O7
Dot Disconnected Isotope Formula C24H34O7
Composition C (66.34%), H (7.89%), O (25.77%)
Isotope Composition C (66.34%), H (7.89%), O (25.77%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 31
Aliphatic Bond Count 34
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 68
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 9
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 4
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.