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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.31
Van der Waals volume 516.48
Polar Surface Area 234.29
Van der Waals Surface Area 801.68
Refractivity 140.77

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ELEMENTAL PROPERTIESExact Mass 610.19
Isotope Formula C28H34O15
Dot Disconnected Formula C28H34O15
Dot Disconnected Isotope Formula C28H34O15
Composition C (55.08%), H (5.61%), O (39.31%)
Isotope Composition C (55.08%), H (5.61%), O (39.31%)
Donor Sites 8
Donor Count 8
Acceptor Sites 16
Acceptor Count 15


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TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 31
Aliphatic Bond Count 35
Aromatic Bond Count 12
Asymmetric Atom Count 11
Bond Count 81
Chain Atom Count 15
Chain Bond Count 18
Chiral Center Count 11
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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