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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.69
Van der Waals volume 601.49
Polar Surface Area 78.9
Van der Waals Surface Area 990.09
Refractivity 165.22

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ELEMENTAL PROPERTIESExact Mass 584.408
Isotope Formula C36H56O6
Dot Disconnected Formula C36H56O6
Dot Disconnected Isotope Formula C36H56O6
Composition C (73.93%), H (9.65%), O (16.41%)
Isotope Composition C (73.93%), H (9.65%), O (16.41%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count98
Aliphatic Atom Count 42
Aliphatic Bond Count 45
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 101
Chain Atom Count 25
Chain Bond Count 25
Chiral Center Count 10
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 10
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.