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CHEMBRIDGE-ZINC04842519

 MMsINC code: MMs00799834
Type: Neutral
Formula: C17H25NO4
SMILES:   O1CCN(CC1)CCOCCOc1ccccc1C(=O)CC
InChI:   InChI=1/C17H25NO4/c1-2-16(19)15-5-3-4-6-17(15)22-14-13-21-12-9-18-7-10-20-11-8-18/h3-6H,2,7-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.39 g/mol  logS: -2.28131  SlogP: 2.0069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137069  Sterimol/B1: 2.20696  Sterimol/B2: 4.10368  Sterimol/B3: 4.88433
  Sterimol/B4: 8.96761  Sterimol/L: 14.8155 
 
 Surface and Volume Properties
  Accessible surface: 603.825  Positive charged surface: 484.251  Negative charged surface: 119.575  Volume: 313.75
  Hydrophobic surface: 542.487  Hydrophilic surface: 61.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs00799835
CHEMBRIDGE-ZINC04842519