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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.87
Van der Waals volume 414.93
Polar Surface Area 0
Van der Waals Surface Area 652.49
Refractivity 120.84

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ELEMENTAL PROPERTIESExact Mass 378.329
Isotope Formula C28H42
Dot Disconnected Formula C28H42
Dot Disconnected Isotope Formula C28H42
Composition C (88.82%), H (11.18%)
Isotope Composition C (88.82%), H (11.18%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 28
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 74
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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