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NCID-ZINC00394763

 MMsINC code: MMs02215303
Type: Neutral
Formula: C10H11NO3
SMILES:   OC(=O)c1cc(NC(=O)C)c(cc1)C
InChI:   InChI=1/C10H11NO3/c1-6-3-4-8(10(13)14)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.3862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.202 g/mol  logS: -1.7242  SlogP: 1.65162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252896  Sterimol/B1: 2.30637  Sterimol/B2: 2.46038  Sterimol/B3: 2.54318
  Sterimol/B4: 7.25702  Sterimol/L: 11.8712 
 
 Surface and Volume Properties
  Accessible surface: 393.571  Positive charged surface: 232.05  Negative charged surface: 161.521  Volume: 183
  Hydrophobic surface: 255.226  Hydrophilic surface: 138.345
 
 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


MMs02215304
NCID-ZINC00394763