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CHEMBRIDGE-ZINC04030879

 MMsINC code: MMs00760095
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)=56.3114 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: 0.054655  Sterimol/B1: 2.8183  Sterimol/B2: 3.57822  Sterimol/B3: 4.80519
  Sterimol/B4: 4.92804  Sterimol/L: 16.2336 
 
 Surface and Volume Properties
  Accessible surface: 518.199  Positive charged surface: 410.578  Negative charged surface: 107.621  Volume: 267.875
  Hydrophobic surface: 485.646  Hydrophilic surface: 32.553
 
 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


MMs00760096
CHEMBRIDGE-ZINC04030879