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CHEMBRIDGE-ZINC02461891

 MMsINC code: MMs00709483
Type: Neutral
Formula: C20H19Cl2FN2O4
SMILES:   Clc1cc(F)c(cc1)C1ONC(=C1C(=O)NCCOCCO)c1ccc(Cl)cc1
InChI:   InChI=1/C20H19Cl2FN2O4/c21-13-3-1-12(2-4-13)18-17(20(27)24-7-9-28-10-8-26)19(29-25-18)15-6-5-14(22)11-16(15)23/h1-6,11,19,25-26H,7-10H2,(H,24,27)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=82.4332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.286 g/mol  logS: -5.5723  SlogP: 3.3403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228604  Sterimol/B1: 2.61141  Sterimol/B2: 3.34525  Sterimol/B3: 5.79833
  Sterimol/B4: 7.90736  Sterimol/L: 14.7685 
 
 Surface and Volume Properties
  Accessible surface: 646.181  Positive charged surface: 352.757  Negative charged surface: 293.424  Volume: 377.5
  Hydrophobic surface: 533.413  Hydrophilic surface: 112.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.