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PUBCHEM-ZINC06070843

 MMsINC code: MMs03523685
Type: Neutral
Formula: C11H13NO3
SMILES:   OC(=O)CNC(=O)Cc1ccc(cc1)C
InChI:   InChI=1/C11H13NO3/c1-8-2-4-9(5-3-8)6-10(13)12-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.7369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.229 g/mol  logS: -2.06224  SlogP: 0.73829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671736  Sterimol/B1: 2.17456  Sterimol/B2: 3.61459  Sterimol/B3: 3.62407
  Sterimol/B4: 4.09409  Sterimol/L: 15.473 
 
 Surface and Volume Properties
  Accessible surface: 437.364  Positive charged surface: 273.377  Negative charged surface: 163.987  Volume: 201.625
  Hydrophobic surface: 288.312  Hydrophilic surface: 149.052
 
 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


MMs03523686
PUBCHEM-ZINC06070843