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PUBCHEM-ZINC05357901

 MMsINC code: MMs03247630
Type: Neutral
Formula: C17H18N2O3
SMILES:   OC(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1
InChI:   InChI=1/C17H18N2O3/c1-17(2,13-6-4-3-5-7-13)19-16(22)18-14-10-8-12(9-11-14)15(20)21/h3-11H,1-2H3,(H,20,21)(H2,18,19,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.4069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.342 g/mol  logS: -3.81991  SlogP: 3.7531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320417  Sterimol/B1: 2.22232  Sterimol/B2: 2.51923  Sterimol/B3: 4.47991
  Sterimol/B4: 6.30119  Sterimol/L: 17.8306 
 
 Surface and Volume Properties
  Accessible surface: 546.538  Positive charged surface: 318.021  Negative charged surface: 228.516  Volume: 290.25
  Hydrophobic surface: 376.318  Hydrophilic surface: 170.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03247631
PUBCHEM-ZINC05357901