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NCID-ZINC01726177

 MMsINC code: MMs02349888
Type: Neutral
Formula: C19H24N2O
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)CN(CC)CC
InChI:   InChI=1/C19H24N2O/c1-3-21(4-2)15-18(22)20-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19H,3-4,15H2,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.0214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.414 g/mol  logS: -3.85122  SlogP: 3.3295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118475  Sterimol/B1: 3.25859  Sterimol/B2: 4.59465  Sterimol/B3: 4.71073
  Sterimol/B4: 6.42031  Sterimol/L: 14.2757 
 
 Surface and Volume Properties
  Accessible surface: 586.431  Positive charged surface: 377.77  Negative charged surface: 208.661  Volume: 320.375
  Hydrophobic surface: 512.859  Hydrophilic surface: 73.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02349889
NCID-ZINC01726177