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ENAMINE-ZINC02632953

 MMsINC code: MMs01263538
Type: Neutral
Formula: C15H16FN3O4
SMILES:   Fc1ccc(cc1)C1NC(=O)N(CC(=O)N2CCOCC2)C1=O
InChI:   InChI=1/C15H16FN3O4/c16-11-3-1-10(2-4-11)13-14(21)19(15(22)17-13)9-12(20)18-5-7-23-8-6-18/h1-4,13H,5-9H2,(H,17,22)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.308 g/mol  logS: -2.45543  SlogP: 0.3729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808334  Sterimol/B1: 2.85107  Sterimol/B2: 3.61205  Sterimol/B3: 4.86584
  Sterimol/B4: 4.92566  Sterimol/L: 15.0186 
 
 Surface and Volume Properties
  Accessible surface: 526.945  Positive charged surface: 347.228  Negative charged surface: 179.717  Volume: 278.375
  Hydrophobic surface: 385.547  Hydrophilic surface: 141.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.