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NCID-ZINC05202298

 MMsINC code: MMs02447915
Type: Neutral
Formula: C22H24FNO6
SMILES:   FCC(=O)NC1C2=CC(=O)C(OC)=CC=C2c2c(cc(OC)c(OC)c2OC)CC1
InChI:   InChI=1/C22H24FNO6/c1-27-17-8-6-13-14(10-16(17)25)15(24-19(26)11-23)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15H,5,7,11H2,1-4H3,(H,24,26)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.433 g/mol  logS: -4.49472  SlogP: 2.53567  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.235901  Sterimol/B1: 2.00043  Sterimol/B2: 3.4395  Sterimol/B3: 5.84592
  Sterimol/B4: 10.4268  Sterimol/L: 14.8285 
 
 Surface and Volume Properties
  Accessible surface: 650.588  Positive charged surface: 501.257  Negative charged surface: 149.331  Volume: 379.125
  Hydrophobic surface: 495.068  Hydrophilic surface: 155.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.