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CHEMBRIDGE-ZINC04030881

 MMsINC code: MMs00760099
Type: Neutral
Formula: C15H23NO2
SMILES:   O(C)C1CCCCC1NCc1ccc(OC)cc1
InChI:   InChI=1/C15H23NO2/c1-17-13-9-7-12(8-10-13)11-16-14-5-3-4-6-15(14)18-2/h7-10,14-16H,3-6,11H2,1-2H3/t14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -2.27432  SlogP: 3.0088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754412  Sterimol/B1: 3.43731  Sterimol/B2: 3.63835  Sterimol/B3: 3.96014
  Sterimol/B4: 4.75752  Sterimol/L: 16.2191 
 
 Surface and Volume Properties
  Accessible surface: 518.323  Positive charged surface: 413.627  Negative charged surface: 104.696  Volume: 268.375
  Hydrophobic surface: 492.534  Hydrophilic surface: 25.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00760100
CHEMBRIDGE-ZINC04030881