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PUBCHEM-ZINC00294875

 MMsINC code: MMs02651325
Type: Neutral
Formula: C10H11NO3
SMILES:   OC(=O)c1ccccc1N(C(=O)C)C
InChI:   InChI=1/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.8478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.202 g/mol  logS: -1.45774  SlogP: 1.3675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164316  Sterimol/B1: 2.97566  Sterimol/B2: 4.05678  Sterimol/B3: 4.49874
  Sterimol/B4: 5.5052  Sterimol/L: 10.9386 
 
 Surface and Volume Properties
  Accessible surface: 376.739  Positive charged surface: 235.153  Negative charged surface: 141.586  Volume: 184.125
  Hydrophobic surface: 274.379  Hydrophilic surface: 102.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02651326
PUBCHEM-ZINC00294875