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PUBCHEM-ZINC05854122

 MMsINC code: MMs03418601
Type: Neutral
Formula: C9H10FNO
SMILES:   Fc1ccc(cc1)C(OCC)=N
InChI:   InChI=1/C9H10FNO/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,11H,2H2,1H3/b11-9-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.183 g/mol  logS: -2.58956  SlogP: 2.18757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173275  Sterimol/B1: 2.37532  Sterimol/B2: 2.37643  Sterimol/B3: 3.18166
  Sterimol/B4: 4.74385  Sterimol/L: 12.6597 
 
 Surface and Volume Properties
  Accessible surface: 365.937  Positive charged surface: 212.821  Negative charged surface: 153.116  Volume: 162
  Hydrophobic surface: 296.592  Hydrophilic surface: 69.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.