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CHEMBRIDGE-ZINC04750577

 MMsINC code: MMs00783998
Type: Neutral
Formula: C19H21NO3
SMILES:   O1CCOc2c1cc(cc2)C(=O)NC(C)c1cc(C)c(cc1)C
InChI:   InChI=1/C19H21NO3/c1-12-4-5-15(10-13(12)2)14(3)20-19(21)16-6-7-17-18(11-16)23-9-8-22-17/h4-7,10-11,14H,8-9H2,1-3H3,(H,20,21)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -4.82356  SlogP: 3.66114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539617  Sterimol/B1: 2.15632  Sterimol/B2: 3.88274  Sterimol/B3: 4.2094
  Sterimol/B4: 6.46651  Sterimol/L: 17.5888 
 
 Surface and Volume Properties
  Accessible surface: 582.389  Positive charged surface: 374.248  Negative charged surface: 208.14  Volume: 310.125
  Hydrophobic surface: 508.454  Hydrophilic surface: 73.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.