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PUBCHEM-ZINC06856979

 MMsINC code: MMs03877257
Type: Neutral
Formula: C18H18FN3O3
SMILES:   Fc1ccc(cc1)C(=O)NNC(=O)CC(NC(=O)C)c1ccccc1
InChI:   InChI=1/C18H18FN3O3/c1-12(23)20-16(13-5-3-2-4-6-13)11-17(24)21-22-18(25)14-7-9-15(19)10-8-14/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)(H,22,25)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.0163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.358 g/mol  logS: -3.94023  SlogP: 1.9497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470828  Sterimol/B1: 2.30289  Sterimol/B2: 2.90056  Sterimol/B3: 4.49741
  Sterimol/B4: 7.70891  Sterimol/L: 18.8222 
 
 Surface and Volume Properties
  Accessible surface: 615.836  Positive charged surface: 331.746  Negative charged surface: 284.09  Volume: 317
  Hydrophobic surface: 482.56  Hydrophilic surface: 133.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.