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AURORAFEINCHEMIE-ZINC06510747

 MMsINC code: MMs00476991
Type: Neutral
Formula: C23H20ClFN2O2
SMILES:   Clc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1F
InChI:   InChI=1/C23H20ClFN2O2/c24-19-12-10-17(11-13-19)22(28)27-21(14-16-6-2-1-3-7-16)23(29)26-15-18-8-4-5-9-20(18)25/h1-13,21H,14-15H2,(H,26,29)(H,27,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.876 g/mol  logS: -6.33012  SlogP: 4.40297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616778  Sterimol/B1: 2.4507  Sterimol/B2: 3.31177  Sterimol/B3: 4.11443
  Sterimol/B4: 9.18251  Sterimol/L: 19.3709 
 
 Surface and Volume Properties
  Accessible surface: 673.89  Positive charged surface: 337.372  Negative charged surface: 336.518  Volume: 380.125
  Hydrophobic surface: 613.868  Hydrophilic surface: 60.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.