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ENAMINE-ZINC03441696

 MMsINC code: MMs01444517
Type: Neutral
Formula: C19H20FNO5
SMILES:   Fc1cc(NC(=O)COC(=O)c2cc(OCC)c(OCC)cc2)ccc1
InChI:   InChI=1/C19H20FNO5/c1-3-24-16-9-8-13(10-17(16)25-4-2)19(23)26-12-18(22)21-15-7-5-6-14(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.8694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.369 g/mol  logS: -4.8132  SlogP: 3.4186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012147  Sterimol/B1: 2.57169  Sterimol/B2: 2.61736  Sterimol/B3: 2.9357
  Sterimol/B4: 9.34162  Sterimol/L: 19.0784 
 
 Surface and Volume Properties
  Accessible surface: 668.044  Positive charged surface: 425.294  Negative charged surface: 242.75  Volume: 334.5
  Hydrophobic surface: 526.22  Hydrophilic surface: 141.824
 
 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.