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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.4
Van der Waals volume 468.53
Polar Surface Area 169.05
Van der Waals Surface Area 728.36
Refractivity 124.44

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ELEMENTAL PROPERTIESExact Mass 524.226
Isotope Formula C26H36O11
Dot Disconnected Formula C26H36O11
Dot Disconnected Isotope Formula C26H36O11
Composition C (59.53%), H (6.92%), O (33.55%)
Isotope Composition C (59.53%), H (6.92%), O (33.55%)
Donor Sites 4
Donor Count 4
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count73
Aliphatic Atom Count 37
Aliphatic Bond Count 41
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 77
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 13
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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