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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.02
Van der Waals volume 466.14
Polar Surface Area 155.52
Van der Waals Surface Area 722.34
Refractivity 147.61

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ELEMENTAL PROPERTIESExact Mass 518.194
Isotope Formula C30H30O8
Dot Disconnected Formula C30H30O8
Dot Disconnected Isotope Formula C30H30O8
Composition C (69.49%), H (5.83%), O (24.68%)
Isotope Composition C (69.49%), H (5.83%), O (24.68%)
Donor Sites 6
Donor Count 6
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count68
Aliphatic Atom Count 18
Aliphatic Bond Count 19
Aromatic Bond Count 22
Asymmetric Atom Count 0
Bond Count 71
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 2

 






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