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IFLAB-ZINC04941364

 MMsINC code: MMs02068567
Type: Neutral
Formula: C18H23FN2O4
SMILES:   Fc1cc(NC(=O)C(=O)NCC2OC3(OC2)CCCCC3)ccc1C
InChI:   InChI=1/C18H23FN2O4/c1-12-5-6-13(9-15(12)19)21-17(23)16(22)20-10-14-11-24-18(25-14)7-3-2-4-8-18/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,20,22)(H,21,23)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.39 g/mol  logS: -4.17621  SlogP: 2.26462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055297  Sterimol/B1: 3.27466  Sterimol/B2: 3.47389  Sterimol/B3: 4.19278
  Sterimol/B4: 6.44059  Sterimol/L: 17.9726 
 
 Surface and Volume Properties
  Accessible surface: 621.759  Positive charged surface: 419.273  Negative charged surface: 202.486  Volume: 326
  Hydrophobic surface: 513.886  Hydrophilic surface: 107.873
 
 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.