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NCID-ZINC05836332

 MMsINC code: MMs02504686
Type: Neutral
Formula: C17H25NO2
SMILES:   OCCC1CCCCC1C(=O)NCCc1ccccc1
InChI:   InChI=1/C17H25NO2/c19-13-11-15-8-4-5-9-16(15)17(20)18-12-10-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,18,20)/t15-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.392 g/mol  logS: -3.32079  SlogP: 2.53407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543926  Sterimol/B1: 3.18449  Sterimol/B2: 3.90025  Sterimol/B3: 5.18462
  Sterimol/B4: 5.77012  Sterimol/L: 16.1869 
 
 Surface and Volume Properties
  Accessible surface: 555.747  Positive charged surface: 395.395  Negative charged surface: 160.352  Volume: 292.5
  Hydrophobic surface: 473.768  Hydrophilic surface: 81.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.