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CHEMBRIDGE-ZINC02884899

 MMsINC code: MMs00735384
Type: Neutral
Formula: C19H21NO3
SMILES:   OC(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)C(C)C
InChI:   InChI=1/C19H21NO3/c1-13(2)15-10-8-14(9-11-15)12-17(19(22)23)20-18(21)16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -4.86058  SlogP: 3.23567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123808  Sterimol/B1: 3.00171  Sterimol/B2: 4.47856  Sterimol/B3: 4.92693
  Sterimol/B4: 7.69633  Sterimol/L: 13.6768 
 
 Surface and Volume Properties
  Accessible surface: 577.529  Positive charged surface: 336.33  Negative charged surface: 241.199  Volume: 313.75
  Hydrophobic surface: 422.107  Hydrophilic surface: 155.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00735385
CHEMBRIDGE-ZINC02884899