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PUBCHEM-ZINC02529220

 MMsINC code: MMs02893957
Type: Neutral
Formula: C10H11N
SMILES:   [nH]1c2cc(ccc2cc1C)C
InChI:   InChI=1/C10H11N/c1-7-3-4-9-6-8(2)11-10(9)5-7/h3-6,11H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.8473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.205 g/mol  logS: -2.46209  SlogP: 2.78474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188446  Sterimol/B1: 2.51218  Sterimol/B2: 2.514  Sterimol/B3: 2.86879
  Sterimol/B4: 4.99545  Sterimol/L: 11.6154 
 
 Surface and Volume Properties
  Accessible surface: 356.353  Positive charged surface: 211.485  Negative charged surface: 139.854  Volume: 161
  Hydrophobic surface: 326.255  Hydrophilic surface: 30.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.