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PUBCHEM-ZINC05907927

 MMsINC code: MMs03439590
Type: Neutral
Formula: C18H23NO
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CNC(CC)C
InChI:   InChI=1/C18H23NO/c1-3-15(2)19-13-16-9-11-18(12-10-16)20-14-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -3.79985  SlogP: 4.6865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449175  Sterimol/B1: 2.3868  Sterimol/B2: 3.06686  Sterimol/B3: 3.85557
  Sterimol/B4: 6.30452  Sterimol/L: 18.3084 
 
 Surface and Volume Properties
  Accessible surface: 574.491  Positive charged surface: 367.008  Negative charged surface: 207.483  Volume: 295.875
  Hydrophobic surface: 510.039  Hydrophilic surface: 64.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03439591
PUBCHEM-ZINC05907927