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ENAMINE-ZINC03288207

 MMsINC code: MMs01351690
Type: Neutral
Formula: C18H19FN2O5
SMILES:   Fc1cc(NC(=O)COC(=O)C(NC(=O)c2occc2)C(C)C)ccc1
InChI:   InChI=1/C18H19FN2O5/c1-11(2)16(21-17(23)14-7-4-8-25-14)18(24)26-10-15(22)20-13-6-3-5-12(19)9-13/h3-9,11,16H,10H2,1-2H3,(H,20,22)(H,21,23)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.8372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.357 g/mol  logS: -4.71291  SlogP: 2.355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459386  Sterimol/B1: 2.23591  Sterimol/B2: 3.93613  Sterimol/B3: 5.22631
  Sterimol/B4: 5.33241  Sterimol/L: 20.4644 
 
 Surface and Volume Properties
  Accessible surface: 635.619  Positive charged surface: 351.042  Negative charged surface: 284.578  Volume: 324.75
  Hydrophobic surface: 485.575  Hydrophilic surface: 150.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.