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NCID-ZINC04760463

 MMsINC code: MMs02401429
Type: Neutral
Formula: C16H16N2O3
SMILES:   OC(=O)c1ccc(NC(=O)Nc2cc(ccc2C)C)cc1
InChI:   InChI=1/C16H16N2O3/c1-10-3-4-11(2)14(9-10)18-16(21)17-13-7-5-12(6-8-13)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.4269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.315 g/mol  logS: -3.85584  SlogP: 3.64564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166264  Sterimol/B1: 1.969  Sterimol/B2: 2.48659  Sterimol/B3: 2.60586
  Sterimol/B4: 7.73537  Sterimol/L: 15.9898 
 
 Surface and Volume Properties
  Accessible surface: 532.932  Positive charged surface: 315.032  Negative charged surface: 217.9  Volume: 273.5
  Hydrophobic surface: 385.592  Hydrophilic surface: 147.34
 
 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


MMs02401430
NCID-ZINC04760463