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ASINEX-ZINC00299951

 MMsINC code: MMs00113402
Type: Neutral
Formula: C18H15FN2O4
SMILES:   Fc1ccc(cc1)C(=O)CC1(O)c2c(N(CC(=O)N)C1=O)cccc2
InChI:   InChI=1/C18H15FN2O4/c19-12-7-5-11(6-8-12)15(22)9-18(25)13-3-1-2-4-14(13)21(17(18)24)10-16(20)23/h1-8,25H,9-10H2,(H2,20,23)/t18-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.326 g/mol  logS: -3.95555  SlogP: 1.4297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784583  Sterimol/B1: 2.54992  Sterimol/B2: 3.53283  Sterimol/B3: 3.84116
  Sterimol/B4: 8.50108  Sterimol/L: 15.5472 
 
 Surface and Volume Properties
  Accessible surface: 557.214  Positive charged surface: 304.534  Negative charged surface: 252.681  Volume: 300.875
  Hydrophobic surface: 377.997  Hydrophilic surface: 179.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.