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AURORAFEINCHEMIE-ZINC06778714

 MMsINC code: MMs00481199
Type: Neutral
Formula: C24H19FN2O3
SMILES:   Fc1ccc(cc1)CNC(=O)C(N1C(=O)c2c(cccc2)C1=O)Cc1ccccc1
InChI:   InChI=1/C24H19FN2O3/c25-18-12-10-17(11-13-18)15-26-22(28)21(14-16-6-2-1-3-7-16)27-23(29)19-8-4-5-9-20(19)24(27)30/h1-13,21H,14-15H2,(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.0202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.425 g/mol  logS: -5.99955  SlogP: 3.61577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857172  Sterimol/B1: 2.39617  Sterimol/B2: 3.59483  Sterimol/B3: 4.1359
  Sterimol/B4: 9.09078  Sterimol/L: 18.0113 
 
 Surface and Volume Properties
  Accessible surface: 657.555  Positive charged surface: 337.983  Negative charged surface: 319.572  Volume: 372.625
  Hydrophobic surface: 570.626  Hydrophilic surface: 86.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.