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ENAMINE-ZINC03237629

 MMsINC code: MMs01322905
Type: Neutral
Formula: C18H16F2N2O4
SMILES:   Fc1cc(F)ccc1C(OC(C(=O)Nc1ccc(NC(=O)C)cc1)C)=O
InChI:   InChI=1/C18H16F2N2O4/c1-10(26-18(25)15-8-3-12(19)9-16(15)20)17(24)22-14-6-4-13(5-7-14)21-11(2)23/h3-10H,1-2H3,(H,21,23)(H,22,24)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.0504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.332 g/mol  logS: -4.88966  SlogP: 3.1072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427648  Sterimol/B1: 2.2515  Sterimol/B2: 2.4775  Sterimol/B3: 4.67808
  Sterimol/B4: 7.33418  Sterimol/L: 19.6709 
 
 Surface and Volume Properties
  Accessible surface: 617.202  Positive charged surface: 331.434  Negative charged surface: 285.768  Volume: 317.5
  Hydrophobic surface: 479.338  Hydrophilic surface: 137.864
 
 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.