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NCID-ZINC01672951

 MMsINC code: MMs02308974
Type: Neutral
Formula: C10H12N2O3
SMILES:   OC(=O)CNc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C10H12N2O3/c1-7(13)12-9-4-2-8(3-5-9)11-6-10(14)15/h2-5,11H,6H2,1H3,(H,12,13)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.217 g/mol  logS: -1.38663  SlogP: 1.1415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150945  Sterimol/B1: 2.2219  Sterimol/B2: 2.66917  Sterimol/B3: 3.69667
  Sterimol/B4: 3.96822  Sterimol/L: 15.4593 
 
 Surface and Volume Properties
  Accessible surface: 420.962  Positive charged surface: 260.503  Negative charged surface: 160.459  Volume: 193.5
  Hydrophobic surface: 248.483  Hydrophilic surface: 172.479
 
 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


MMs02308975
NCID-ZINC01672951