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PUBCHEM-ZINC06932266

 MMsINC code: MMs03905976
Type: Neutral
Formula: C12H16N2O3
SMILES:   OC(=O)C(NC(=O)NC(C)c1ccccc1)C
InChI:   InChI=1/C12H16N2O3/c1-8(10-6-4-3-5-7-10)13-12(17)14-9(2)11(15)16/h3-9H,1-2H3,(H,15,16)(H2,13,14,17)/t8-,9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.4686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.271 g/mol  logS: -2.02249  SlogP: 1.6154  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108541  Sterimol/B1: 2.17298  Sterimol/B2: 2.27866  Sterimol/B3: 5.22659
  Sterimol/B4: 5.87649  Sterimol/L: 14.9658 
 
 Surface and Volume Properties
  Accessible surface: 477.169  Positive charged surface: 287.08  Negative charged surface: 190.089  Volume: 229.625
  Hydrophobic surface: 296.187  Hydrophilic surface: 180.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03905977
PUBCHEM-ZINC06932266