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AURORAFEINCHEMIE-ZINC03611405

 MMsINC code: MMs00456486
Type: Neutral
Formula: C23H16F2N2O3
SMILES:   Fc1ccc(F)cc1NC(=O)C(N1C(=O)c2c(cccc2)C1=O)Cc1ccccc1
InChI:   InChI=1/C23H16F2N2O3/c24-15-10-11-18(25)19(13-15)26-21(28)20(12-14-6-2-1-3-7-14)27-22(29)16-8-4-5-9-17(16)23(27)30/h1-11,13,20H,12H2,(H,26,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.1521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.388 g/mol  logS: -6.35049  SlogP: 3.81077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770756  Sterimol/B1: 2.89232  Sterimol/B2: 3.52042  Sterimol/B3: 4.19801
  Sterimol/B4: 9.78228  Sterimol/L: 15.4782 
 
 Surface and Volume Properties
  Accessible surface: 633.958  Positive charged surface: 306.417  Negative charged surface: 327.541  Volume: 356.25
  Hydrophobic surface: 553.959  Hydrophilic surface: 79.999
 
 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.