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ENAMINE-ZINC02663422

 MMsINC code: MMs01283739
Type: Neutral
Formula: C15H9ClF2N4O2
SMILES:   Clc1ccc(cc1)-c1oc(nn1)NC(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C15H9ClF2N4O2/c16-9-3-1-8(2-4-9)13-21-22-15(24-13)20-14(23)19-12-6-5-10(17)7-11(12)18/h1-7H,(H2,19,20,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.712 g/mol  logS: -7.14507  SlogP: 4.3122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00710147  Sterimol/B1: 2.41595  Sterimol/B2: 2.71223  Sterimol/B3: 2.89841
  Sterimol/B4: 5.23067  Sterimol/L: 19.9725 
 
 Surface and Volume Properties
  Accessible surface: 556.492  Positive charged surface: 246.367  Negative charged surface: 310.125  Volume: 279.75
  Hydrophobic surface: 421.612  Hydrophilic surface: 134.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.