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CHEMDIV-ZINC04757174

 MMsINC code: MMs00947119
Type: Neutral
Formula: C22H25FN2O4
SMILES:   Fc1ccc(cc1)C1N(C(=O)CCC1C(=O)NCCOC)c1ccc(OC)cc1
InChI:   InChI=1/C22H25FN2O4/c1-28-14-13-24-22(27)19-11-12-20(26)25(17-7-9-18(29-2)10-8-17)21(19)15-3-5-16(23)6-4-15/h3-10,19,21H,11-14H2,1-2H3,(H,24,27)/t19-,21+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.45 g/mol  logS: -3.89846  SlogP: 3.1767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742172  Sterimol/B1: 3.86948  Sterimol/B2: 4.55646  Sterimol/B3: 4.71832
  Sterimol/B4: 6.92871  Sterimol/L: 19.6205 
 
 Surface and Volume Properties
  Accessible surface: 662.346  Positive charged surface: 485.572  Negative charged surface: 176.774  Volume: 378.75
  Hydrophobic surface: 592.171  Hydrophilic surface: 70.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.