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CHEMBRIDGE-ZINC01200375

 MMsINC code: MMs00686460
Type: Neutral
Formula: C18H16F3N3O3
SMILES:   FC(F)(F)C(=O)Nc1ccc(cc1)/C(=N/NC(=O)C(O)c1ccccc1)/C
InChI:   InChI=1/C18H16F3N3O3/c1-11(23-24-16(26)15(25)13-5-3-2-4-6-13)12-7-9-14(10-8-12)22-17(27)18(19,20)21/h2-10,15,25H,1H3,(H,22,27)(H,24,26)/b23-11-/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=167.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.338 g/mol  logS: -4.92685  SlogP: 3.2766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120091  Sterimol/B1: 2.28895  Sterimol/B2: 3.08285  Sterimol/B3: 4.90484
  Sterimol/B4: 9.16603  Sterimol/L: 15.8464 
 
 Surface and Volume Properties
  Accessible surface: 603.197  Positive charged surface: 272.542  Negative charged surface: 330.655  Volume: 323.5
  Hydrophobic surface: 349.932  Hydrophilic surface: 253.265
 
 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.