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ENAMINE-ZINC05788414

 MMsINC code: MMs01638825
Type: Neutral
Formula: C19H19Cl2FN2O3
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C(\CC)/c1cc(F)ccc1O
InChI:   InChI=1/C19H19Cl2FN2O3/c1-2-16(14-11-13(22)6-7-17(14)25)23-24-19(26)4-3-9-27-18-8-5-12(20)10-15(18)21/h5-8,10-11,25H,2-4,9H2,1H3,(H,24,26)/b23-16+

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Potential Energy
Epot(MMFF94)=101.22 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.276 g/mol  logS: -5.6082  SlogP: 4.9276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109937  Sterimol/B1: 2.06636  Sterimol/B2: 2.56128  Sterimol/B3: 3.49739
  Sterimol/B4: 7.80491  Sterimol/L: 22.2337 
 
 Surface and Volume Properties
  Accessible surface: 690.81  Positive charged surface: 345.178  Negative charged surface: 345.632  Volume: 356.75
  Hydrophobic surface: 584.687  Hydrophilic surface: 106.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.