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CHEMSTAR-ZINC04208114

 MMsINC code: MMs01111627
Type: Neutral
Formula: C19H17ClF4N2O4
SMILES:   Clc1cc(NC(=O)NC(Oc2ccc(cc2)CC)(C(OC)=O)C(F)(F)F)ccc1F
InChI:   InChI=1/C19H17ClF4N2O4/c1-3-11-4-7-13(8-5-11)30-18(16(27)29-2,19(22,23)24)26-17(28)25-12-6-9-15(21)14(20)10-12/h4-10H,3H2,1-2H3,(H2,25,26,28)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.41 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.8 g/mol  logS: -6.83844  SlogP: 5.09347  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.199746  Sterimol/B1: 2.49707  Sterimol/B2: 2.8776  Sterimol/B3: 5.41852
  Sterimol/B4: 10.5331  Sterimol/L: 15.3182 
 
 Surface and Volume Properties
  Accessible surface: 658.339  Positive charged surface: 332.837  Negative charged surface: 325.502  Volume: 358.5
  Hydrophobic surface: 488.221  Hydrophilic surface: 170.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.