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CHEMBRIDGE-ZINC02895675

 MMsINC code: MMs00737673
Type: Neutral
Formula: C16H25NO2
SMILES:   O1CCN(CC1)CCCCOc1cc(ccc1C)C
InChI:   InChI=1/C16H25NO2/c1-14-5-6-15(2)16(13-14)19-10-4-3-7-17-8-11-18-12-9-17/h5-6,13H,3-4,7-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.4102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -2.66256  SlogP: 2.79464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293813  Sterimol/B1: 1.969  Sterimol/B2: 2.75045  Sterimol/B3: 3.57734
  Sterimol/B4: 7.70598  Sterimol/L: 17.0643 
 
 Surface and Volume Properties
  Accessible surface: 568.157  Positive charged surface: 445.356  Negative charged surface: 122.801  Volume: 285.25
  Hydrophobic surface: 552.321  Hydrophilic surface: 15.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00737674
CHEMBRIDGE-ZINC02895675