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CHEMDIV-ZINC00151363

 MMsINC code: MMs00834926
Type: Neutral
Formula: C15H13NO3
SMILES:   OC(=O)c1cc(NC(=O)c2ccc(cc2)C)ccc1
InChI:   InChI=1/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(9-13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.1935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.273 g/mol  logS: -3.79819  SlogP: 2.94552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175197  Sterimol/B1: 2.46291  Sterimol/B2: 2.94517  Sterimol/B3: 4.29767
  Sterimol/B4: 4.52967  Sterimol/L: 15.6975 
 
 Surface and Volume Properties
  Accessible surface: 493.889  Positive charged surface: 271.076  Negative charged surface: 222.813  Volume: 243.625
  Hydrophobic surface: 358.128  Hydrophilic surface: 135.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00834927
CHEMDIV-ZINC00151363