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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.25
Van der Waals volume 532.75
Polar Surface Area 201.29
Van der Waals Surface Area 838.26
Refractivity 151.75

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ELEMENTAL PROPERTIESExact Mass 644.174
Isotope Formula C31H32O15
Dot Disconnected Formula C31H32O15
Dot Disconnected Isotope Formula C31H32O15
Composition C (57.76%), H (5%), O (37.23%)
Isotope Composition C (57.76%), H (5%), O (37.23%)
Donor Sites 5
Donor Count 5
Acceptor Sites 15
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count78
Aliphatic Atom Count 30
Aliphatic Bond Count 35
Aromatic Bond Count 17
Asymmetric Atom Count 7
Bond Count 84
Chain Atom Count 13
Chain Bond Count 16
Chiral Center Count 7
Ring Atom Count 33
Ring Bond Count 36
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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