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CHEMDIV-ZINC02469297

 MMsINC code: MMs00879015
Type: Neutral
Formula: C25H19ClFN3O2
SMILES:   Clc1cc(F)ccc1NC(=O)C1c2c(cccc2)C(=O)N(C)C1c1c2c([nH]c1)cccc2
InChI:   InChI=1/C25H19ClFN3O2/c1-30-23(18-13-28-20-9-5-4-6-15(18)20)22(16-7-2-3-8-17(16)25(30)32)24(31)29-21-11-10-14(27)12-19(21)26/h2-13,22-23,28H,1H3,(H,29,31)/t22-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 447.897 g/mol  logS: -6.56695  SlogP: 5.6051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187592  Sterimol/B1: 2.57907  Sterimol/B2: 5.79088  Sterimol/B3: 6.53067
  Sterimol/B4: 8.02397  Sterimol/L: 13.8052 
 
 Surface and Volume Properties
  Accessible surface: 656.827  Positive charged surface: 331.372  Negative charged surface: 322.837  Volume: 395
  Hydrophobic surface: 584.935  Hydrophilic surface: 71.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.