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MAYBRIDGE-ZINC00105539

MMsINC code: MMs02132435

Type: Neutral
Formula: C18H15F2N3O2
SMILES:   Fc1cc(F)ccc1NC(=O)NCc1c(noc1C)-c1ccccc1
InChI:   InChI=1/C18H15F2N3O2/c1-11-14(17(23-25-11)12-5-3-2-4-6-12)10-21-18(24)22-16-8-7-13(19)9-15(16)20/h2-9H,10H2,1H3,(H2,21,22,24)

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=55.0774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.333 g/mol  logS: -5.14097  SlogP: 4.51632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706085  Sterimol/B1: 2.18818  Sterimol/B2: 3.90022  Sterimol/B3: 3.92678
  Sterimol/B4: 10.0178  Sterimol/L: 16.2289 
 
 Surface and Volume Properties
  Accessible surface: 578.555  Positive charged surface: 287.08  Negative charged surface: 291.475  Volume: 304.125
  Hydrophobic surface: 495.455  Hydrophilic surface: 83.1
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.