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CHEMDIV-ZINC05139471

 MMsINC code: MMs00991378
Type: Neutral
Formula: C19H12ClFN4O2
SMILES:   Clc1ccc(cc1)C(=O)CN1C=Nc2n(ncc2C1=O)-c1ccc(F)cc1
InChI:   InChI=1/C19H12ClFN4O2/c20-13-3-1-12(2-4-13)17(26)10-24-11-22-18-16(19(24)27)9-23-25(18)15-7-5-14(21)6-8-15/h1-9,11H,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.782 g/mol  logS: -5.57543  SlogP: 3.6633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415014  Sterimol/B1: 2.37299  Sterimol/B2: 3.83415  Sterimol/B3: 4.64923
  Sterimol/B4: 5.98969  Sterimol/L: 20.0006 
 
 Surface and Volume Properties
  Accessible surface: 606.75  Positive charged surface: 287.916  Negative charged surface: 318.834  Volume: 325.625
  Hydrophobic surface: 504.222  Hydrophilic surface: 102.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.