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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.17
Van der Waals volume 600.69
Polar Surface Area 136.68
Van der Waals Surface Area 965.24
Refractivity 161.85

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ELEMENTAL PROPERTIESExact Mass 604.398
Isotope Formula C35H56O8
Dot Disconnected Formula C35H56O8
Dot Disconnected Isotope Formula C35H56O8
Composition C (69.5%), H (9.33%), O (21.16%)
Isotope Composition C (69.5%), H (9.33%), O (21.16%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count99
Aliphatic Atom Count 43
Aliphatic Bond Count 48
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 104
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 13
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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