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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.96
Van der Waals volume 497.98
Polar Surface Area 142.5
Van der Waals Surface Area 787.01
Refractivity 132.68

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ELEMENTAL PROPERTIESExact Mass 534.247
Isotope Formula C28H38O10
Dot Disconnected Formula C28H38O10
Dot Disconnected Isotope Formula C28H38O10
Composition C (62.91%), H (7.16%), O (29.93%)
Isotope Composition C (62.91%), H (7.16%), O (29.93%)
Donor Sites 1
Donor Count 1
Acceptor Sites 11
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count76
Aliphatic Atom Count 38
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 78
Chain Atom Count 23
Chain Bond Count 23
Chiral Center Count 8
Ring Atom Count 15
Ring Bond Count 17
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 8
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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