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CHEMBRIDGE-ZINC02824091

 MMsINC code: MMs00720423
Type: Neutral
Formula: C19H25NO2
SMILES:   O(CCCCNCc1ccccc1)c1ccc(cc1OC)C
InChI:   InChI=1/C19H25NO2/c1-16-10-11-18(19(14-16)21-2)22-13-7-6-12-20-15-17-8-4-3-5-9-17/h3-5,8-11,14,20H,6-7,12-13,15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.3877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -3.89794  SlogP: 4.21882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255667  Sterimol/B1: 2.46054  Sterimol/B2: 3.59595  Sterimol/B3: 3.64803
  Sterimol/B4: 7.42764  Sterimol/L: 20.354 
 
 Surface and Volume Properties
  Accessible surface: 635.452  Positive charged surface: 455.846  Negative charged surface: 179.606  Volume: 319.875
  Hydrophobic surface: 599.537  Hydrophilic surface: 35.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00720424
CHEMBRIDGE-ZINC02824091