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PUBCHEM-ZINC03677143

 MMsINC code: MMs03039251
Type: Neutral
Formula: C10H12FNO2
SMILES:   Fc1cc(C(N)(C(O)=O)C)c(cc1)C
InChI:   InChI=1/C10H12FNO2/c1-6-3-4-7(11)5-8(6)10(2,12)9(13)14/h3-5H,12H2,1-2H3,(H,13,14)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.209 g/mol  logS: -2.14175  SlogP: 1.70412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19078  Sterimol/B1: 2.23986  Sterimol/B2: 3.32433  Sterimol/B3: 3.82536
  Sterimol/B4: 6.23899  Sterimol/L: 10.5104 
 
 Surface and Volume Properties
  Accessible surface: 364.327  Positive charged surface: 202.618  Negative charged surface: 161.709  Volume: 179
  Hydrophobic surface: 235.387  Hydrophilic surface: 128.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03039252
PUBCHEM-ZINC03677143