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CHEMBRIDGE-ZINC01200974

 MMsINC code: MMs00686654
Type: Neutral
Formula: C16H23NO3
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C1CCCC1
InChI:   InChI=1/C16H23NO3/c1-19-14-8-7-12(11-15(14)20-2)9-10-17-16(18)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.364 g/mol  logS: -3.03254  SlogP: 2.55267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490575  Sterimol/B1: 2.457  Sterimol/B2: 2.79986  Sterimol/B3: 4.08406
  Sterimol/B4: 7.09081  Sterimol/L: 17.6718 
 
 Surface and Volume Properties
  Accessible surface: 566.885  Positive charged surface: 446.326  Negative charged surface: 120.559  Volume: 284.625
  Hydrophobic surface: 510.292  Hydrophilic surface: 56.593
 
 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: no related molecules available.