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PUBCHEM-ZINC02004895

 MMsINC code: MMs02845490
Type: Neutral
Formula: C18H19NO
SMILES:   O(C)c1ccc2c(cc3c(c2)cccc3)c1CN(C)C
InChI:   InChI=1/C18H19NO/c1-19(2)12-17-16-11-14-7-5-4-6-13(14)10-15(16)8-9-18(17)20-3/h4-11H,12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.6638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.356 g/mol  logS: -5.06247  SlogP: 4.3296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530579  Sterimol/B1: 2.42587  Sterimol/B2: 3.09981  Sterimol/B3: 4.03991
  Sterimol/B4: 7.49467  Sterimol/L: 14.5397 
 
 Surface and Volume Properties
  Accessible surface: 498.717  Positive charged surface: 358.769  Negative charged surface: 122.919  Volume: 275.375
  Hydrophobic surface: 489.211  Hydrophilic surface: 9.506
 
 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


MMs02845491
PUBCHEM-ZINC02004895