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PUBCHEM-ZINC02005785

 MMsINC code: MMs02846108
Type: Neutral
Formula: C19H26N2O
SMILES:   O=C(N(CCCC)CCN(C)C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H26N2O/c1-4-5-13-21(15-14-20(2)3)19(22)18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,4-5,13-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.43 g/mol  logS: -4.24499  SlogP: 3.6437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174715  Sterimol/B1: 2.47819  Sterimol/B2: 2.79845  Sterimol/B3: 6.46083
  Sterimol/B4: 8.52005  Sterimol/L: 15.4354 
 
 Surface and Volume Properties
  Accessible surface: 578.922  Positive charged surface: 419.074  Negative charged surface: 154.18  Volume: 325.125
  Hydrophobic surface: 532.105  Hydrophilic surface: 46.817
 
 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


MMs02846109
PUBCHEM-ZINC02005785