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PUBCHEM-ZINC01997789

 MMsINC code: MMs02840379
Type: Neutral
Formula: C19H23NO2
SMILES:   O(C(=O)c1ccccc1)CCCN(CCc1ccccc1)C
InChI:   InChI=1/C19H23NO2/c1-20(15-13-17-9-4-2-5-10-17)14-8-16-22-19(21)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -3.69564  SlogP: 3.40797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.032757  Sterimol/B1: 2.14072  Sterimol/B2: 2.55754  Sterimol/B3: 4.33665
  Sterimol/B4: 5.58466  Sterimol/L: 20.9565 
 
 Surface and Volume Properties
  Accessible surface: 616.072  Positive charged surface: 406.113  Negative charged surface: 209.959  Volume: 315.875
  Hydrophobic surface: 575.281  Hydrophilic surface: 40.791
 
 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


MMs02840380
PUBCHEM-ZINC01997789