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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 10.41
Van der Waals volume 708.67
Polar Surface Area 102.29
Van der Waals Surface Area 1213.89
Refractivity 190.85

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ELEMENTAL PROPERTIESExact Mass 664.528
Isotope Formula C40H72O7
Dot Disconnected Formula C40H72O7
Dot Disconnected Isotope Formula C40H72O7
Composition C (72.25%), H (10.91%), O (16.84%)
Isotope Composition C (72.25%), H (10.91%), O (16.84%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count119
Aliphatic Atom Count 47
Aliphatic Bond Count 48
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 120
Chain Atom Count 37
Chain Bond Count 38
Chiral Center Count 6
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 31
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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