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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.71
Van der Waals volume 447.48
Polar Surface Area 116.2
Van der Waals Surface Area 721.41
Refractivity 119.94

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ELEMENTAL PROPERTIESExact Mass 476.241
Isotope Formula C26H36O8
Dot Disconnected Formula C26H36O8
Dot Disconnected Isotope Formula C26H36O8
Composition C (65.53%), H (7.61%), O (26.86%)
Isotope Composition C (65.53%), H (7.61%), O (26.86%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 73
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 9
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 6
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.