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CHEMDIV-ZINC06894426

 MMsINC code: MMs01056035
Type: Neutral
Formula: C19H20N2O2
SMILES:   OC(=O)c1[nH]c2c(ccc(c2)C)c1CNCc1ccc(cc1)C
InChI:   InChI=1/C19H20N2O2/c1-12-3-6-14(7-4-12)10-20-11-16-15-8-5-13(2)9-17(15)21-18(16)19(22)23/h3-9,20-21H,10-11H2,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.7008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -4.25334  SlogP: 4.30554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878782  Sterimol/B1: 2.34563  Sterimol/B2: 3.54318  Sterimol/B3: 5.36415
  Sterimol/B4: 8.01882  Sterimol/L: 16.894 
 
 Surface and Volume Properties
  Accessible surface: 592.576  Positive charged surface: 356.88  Negative charged surface: 229.995  Volume: 310.375
  Hydrophobic surface: 456.833  Hydrophilic surface: 135.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.