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MAYBRIDGE-ZINC04277390

 MMsINC code: MMs02162833
Type: Neutral
Formula: C14H19NO4
SMILES:   O1CCN(CC1)CCOc1cc(ccc1)C(OC)=O
InChI:   InChI=1/C14H19NO4/c1-17-14(16)12-3-2-4-13(11-12)19-10-7-15-5-8-18-9-6-15/h2-4,11H,5-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.309 g/mol  logS: -2.00636  SlogP: 1.1842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742077  Sterimol/B1: 2.55748  Sterimol/B2: 3.79547  Sterimol/B3: 4.25136
  Sterimol/B4: 6.39931  Sterimol/L: 16.0765 
 
 Surface and Volume Properties
  Accessible surface: 520.936  Positive charged surface: 408.962  Negative charged surface: 111.974  Volume: 261
  Hydrophobic surface: 461.578  Hydrophilic surface: 59.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02162834
MAYBRIDGE-ZINC04277390