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CHEMBRIDGE-ZINC04866464

 MMsINC code: MMs00805364
Type: Neutral
Formula: C17H17NO4
SMILES:   O1CCOc2c1cc(cc2)C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C17H17NO4/c1-20-14-5-2-12(3-6-14)11-18-17(19)13-4-7-15-16(10-13)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.326 g/mol  logS: -3.59889  SlogP: 2.6628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395454  Sterimol/B1: 2.35571  Sterimol/B2: 3.16558  Sterimol/B3: 4.37521
  Sterimol/B4: 6.10516  Sterimol/L: 18.4183 
 
 Surface and Volume Properties
  Accessible surface: 562.026  Positive charged surface: 393.303  Negative charged surface: 168.724  Volume: 284.125
  Hydrophobic surface: 484.376  Hydrophilic surface: 77.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.