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NCID-ZINC01581715

 MMsINC code: MMs02238970
Type: Neutral
Formula: C18H19NO
SMILES:   O1C2CN(CC(C12c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)18(17(13-19)20-18)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.3478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.356 g/mol  logS: -3.40058  SlogP: 3.3214  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.253042  Sterimol/B1: 3.05864  Sterimol/B2: 3.8884  Sterimol/B3: 4.76694
  Sterimol/B4: 6.82485  Sterimol/L: 12.4701 
 
 Surface and Volume Properties
  Accessible surface: 497.177  Positive charged surface: 334.099  Negative charged surface: 163.078  Volume: 277.375
  Hydrophobic surface: 477.848  Hydrophilic surface: 19.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02238971
NCID-ZINC01581715