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MAYBRIDGE-ZINC04382971

 MMsINC code: MMs02173287
Type: Neutral
Formula: C19H19ClF3N3O
SMILES:   Clc1ccc(NC(=O)c2cnc(NC3CCCCC3)cc2C(F)(F)F)cc1
InChI:   InChI=1/C19H19ClF3N3O/c20-12-6-8-14(9-7-12)26-18(27)15-11-24-17(10-16(15)19(21,22)23)25-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,24,25)(H,26,27)

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Potential Energy
Epot(MMFF94)=75.0761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.828 g/mol  logS: -5.46643  SlogP: 6.0622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277568  Sterimol/B1: 2.49684  Sterimol/B2: 3.16013  Sterimol/B3: 3.55792
  Sterimol/B4: 5.66235  Sterimol/L: 20.117 
 
 Surface and Volume Properties
  Accessible surface: 621.312  Positive charged surface: 337.26  Negative charged surface: 284.052  Volume: 342.5
  Hydrophobic surface: 469.665  Hydrophilic surface: 151.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.