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APOLLO-ZINC01681592

 MMsINC code: MMs00049766
Type: Neutral
Formula: C9H13NO
SMILES:   OCc1ccc(N(C)C)cc1
InChI:   InChI=1/C9H13NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-6,11H,7H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.9391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.209 g/mol  logS: -1.08331  SlogP: 1.5113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390248  Sterimol/B1: 2.35512  Sterimol/B2: 2.50548  Sterimol/B3: 2.78673
  Sterimol/B4: 4.89222  Sterimol/L: 11.7666 
 
 Surface and Volume Properties
  Accessible surface: 363.985  Positive charged surface: 277.877  Negative charged surface: 86.1083  Volume: 165.25
  Hydrophobic surface: 300.307  Hydrophilic surface: 63.678
 
 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.