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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.02
Van der Waals volume 644.63
Polar Surface Area 260.21
Van der Waals Surface Area 1016.89
Refractivity 178.42

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ELEMENTAL PROPERTIESExact Mass 776.216
Isotope Formula C36H40O19
Dot Disconnected Formula C36H40O19
Dot Disconnected Isotope Formula C36H40O19
Composition C (55.67%), H (5.19%), O (39.14%)
Isotope Composition C (55.67%), H (5.19%), O (39.14%)
Donor Sites 7
Donor Count 7
Acceptor Sites 19
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count95
Aliphatic Atom Count 39
Aliphatic Bond Count 45
Aromatic Bond Count 17
Asymmetric Atom Count 10
Bond Count 102
Chain Atom Count 17
Chain Bond Count 21
Chiral Center Count 10
Ring Atom Count 38
Ring Bond Count 41
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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