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ENAMINE-ZINC03554426

MMsINC code: MMs01505615

Type: Neutral
Formula: C19H23NO3
SMILES:   O(CCC)c1ccc(cc1OC)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C19H23NO3/c1-4-11-23-17-10-9-16(12-18(17)22-3)19(21)20-13-15-7-5-14(2)6-8-15/h5-10,12H,4,11,13H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=71.7834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.397 g/mol  logS: -4.40257  SlogP: 3.98882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034397  Sterimol/B1: 1.969  Sterimol/B2: 3.61747  Sterimol/B3: 3.61943
  Sterimol/B4: 9.53855  Sterimol/L: 18.1557 
 
 Surface and Volume Properties
  Accessible surface: 628.999  Positive charged surface: 429.341  Negative charged surface: 199.658  Volume: 321.625
  Hydrophobic surface: 546.298  Hydrophilic surface: 82.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.