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PUBCHEM-ZINC01642918

 MMsINC code: MMs02817438
Type: Neutral
Formula: C18H24N2O
SMILES:   O=C(NCC(C)C)Cn1c2CCCCc2c2c1cccc2
InChI:   InChI=1/C18H24N2O/c1-13(2)11-19-18(21)12-20-16-9-5-3-7-14(16)15-8-4-6-10-17(15)20/h3,5,7,9,13H,4,6,8,10-12H2,1-2H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.4394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.403 g/mol  logS: -3.56092  SlogP: 3.55864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670198  Sterimol/B1: 2.19577  Sterimol/B2: 4.54468  Sterimol/B3: 5.92139
  Sterimol/B4: 5.99649  Sterimol/L: 15.0653 
 
 Surface and Volume Properties
  Accessible surface: 561.112  Positive charged surface: 398.86  Negative charged surface: 156.267  Volume: 301.375
  Hydrophobic surface: 487.628  Hydrophilic surface: 73.484
 
 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.