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CHEMDIV-ZINC03657576

 MMsINC code: MMs00915280
Type: Neutral
Formula: C23H25FN2O4
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)N1CCOCC1
InChI:   InChI=1/C23H25FN2O4/c1-29-13-12-26-21(16-6-8-17(24)9-7-16)20(23(28)25-10-14-30-15-11-25)18-4-2-3-5-19(18)22(26)27/h2-9,20-21H,10-15H2,1H3/t20-,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.14 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.461 g/mol  logS: -4.04703  SlogP: 2.7071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.336184  Sterimol/B1: 2.5272  Sterimol/B2: 4.46949  Sterimol/B3: 6.31056
  Sterimol/B4: 8.85927  Sterimol/L: 14.2921 
 
 Surface and Volume Properties
  Accessible surface: 611.378  Positive charged surface: 445.859  Negative charged surface: 165.519  Volume: 383.875
  Hydrophobic surface: 565.234  Hydrophilic surface: 46.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.