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IFLAB-ZINC04941361

 MMsINC code: MMs02068565
Type: Neutral
Formula: C17H20F2N2O4
SMILES:   Fc1ccc(F)cc1NC(=O)C(=O)NCC1OC2(OC1)CCCCC2
InChI:   InChI=1/C17H20F2N2O4/c18-11-4-5-13(19)14(8-11)21-16(23)15(22)20-9-12-10-24-17(25-12)6-2-1-3-7-17/h4-5,8,12H,1-3,6-7,9-10H2,(H,20,22)(H,21,23)/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.2352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.353 g/mol  logS: -4.31072  SlogP: 2.0953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641169  Sterimol/B1: 3.27883  Sterimol/B2: 3.47844  Sterimol/B3: 4.15307
  Sterimol/B4: 6.31023  Sterimol/L: 16.7473 
 
 Surface and Volume Properties
  Accessible surface: 598.428  Positive charged surface: 383.992  Negative charged surface: 214.436  Volume: 309.375
  Hydrophobic surface: 493.13  Hydrophilic surface: 105.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.