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ENAMINE-ZINC06381979

 MMsINC code: MMs01662686
Type: Neutral
Formula: C19H18ClFN4O2
SMILES:   Clc1cc(F)c(NC(=O)Cn2c3c(nc2C(NC(=O)C)C)cccc3)cc1
InChI:   InChI=1/C19H18ClFN4O2/c1-11(22-12(2)26)19-24-16-5-3-4-6-17(16)25(19)10-18(27)23-15-8-7-13(20)9-14(15)21/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,27)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=60.5239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.83 g/mol  logS: -5.03681  SlogP: 4.0265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1994  Sterimol/B1: 2.36437  Sterimol/B2: 4.79074  Sterimol/B3: 5.8883
  Sterimol/B4: 8.88504  Sterimol/L: 15.4838 
 
 Surface and Volume Properties
  Accessible surface: 646.494  Positive charged surface: 331.724  Negative charged surface: 314.771  Volume: 347.5
  Hydrophobic surface: 534.35  Hydrophilic surface: 112.144
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.