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PUBCHEM-ZINC02019497

 MMsINC code: MMs02855125
Type: Neutral
Formula: C19H22N2O
SMILES:   O(C)c1cc2c(n(c(C)c2CN(C)C)-c2ccccc2)cc1
InChI:   InChI=1/C19H22N2O/c1-14-18(13-20(2)3)17-12-16(22-4)10-11-19(17)21(14)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.3126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.398 g/mol  logS: -3.62787  SlogP: 4.27552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979797  Sterimol/B1: 2.60388  Sterimol/B2: 3.04327  Sterimol/B3: 4.22534
  Sterimol/B4: 9.84794  Sterimol/L: 13.7215 
 
 Surface and Volume Properties
  Accessible surface: 557.259  Positive charged surface: 407.109  Negative charged surface: 147.103  Volume: 312.125
  Hydrophobic surface: 535.887  Hydrophilic surface: 21.372
 
 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


MMs02855126
PUBCHEM-ZINC02019497