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PUBCHEM-ZINC02164588

 MMsINC code: MMs02878426
Type: Neutral
Formula: C10H15NO
SMILES:   O(CCCCC)c1cccnc1
InChI:   InChI=1/C10H15NO/c1-2-3-4-8-12-10-6-5-7-11-9-10/h5-7,9H,2-4,8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.73654  SlogP: 2.6506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233601  Sterimol/B1: 2.37549  Sterimol/B2: 2.37723  Sterimol/B3: 3.02345
  Sterimol/B4: 4.12929  Sterimol/L: 14.6721 
 
 Surface and Volume Properties
  Accessible surface: 408.748  Positive charged surface: 308.879  Negative charged surface: 99.8689  Volume: 183.5
  Hydrophobic surface: 363.073  Hydrophilic surface: 45.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.