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PUBCHEM-ZINC01995089

 MMsINC code: MMs02838409
Type: Neutral
Formula: C9H10N2O3
SMILES:   OC(=O)c1cc(cc(N)c1)C(=O)NC
InChI:   InChI=1/C9H10N2O3/c1-11-8(12)5-2-6(9(13)14)4-7(10)3-5/h2-4H,10H2,1H3,(H,11,12)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.19 g/mol  logS: -1.22129  SlogP: 0.3266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00812863  Sterimol/B1: 2.37495  Sterimol/B2: 2.37516  Sterimol/B3: 4.09555
  Sterimol/B4: 5.36506  Sterimol/L: 12.7892 
 
 Surface and Volume Properties
  Accessible surface: 385.324  Positive charged surface: 255.43  Negative charged surface: 129.894  Volume: 176.875
  Hydrophobic surface: 180.419  Hydrophilic surface: 204.905
 
 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


MMs02838410
PUBCHEM-ZINC01995089