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PUBCHEM-ZINC04329669

 MMsINC code: MMs03114121
Type: Neutral
Formula: C19H13FN4O4
SMILES:   Fc1ccc(cc1)-c1oc(nn1)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChI:   InChI=1/C19H13FN4O4/c20-13-5-1-12(2-6-13)18-22-23-19(28-18)21-17(27)11-3-7-14(8-4-11)24-15(25)9-10-16(24)26/h1-8H,9-10H2,(H,21,23,27)

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Potential Energy
Epot(MMFF94)=79.7318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.335 g/mol  logS: -6.61471  SlogP: 2.7814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0124002  Sterimol/B1: 3.46456  Sterimol/B2: 3.64718  Sterimol/B3: 3.83304
  Sterimol/B4: 5.26274  Sterimol/L: 21.0829 
 
 Surface and Volume Properties
  Accessible surface: 616.115  Positive charged surface: 308.316  Negative charged surface: 307.799  Volume: 326.75
  Hydrophobic surface: 422.215  Hydrophilic surface: 193.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.