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CHEMDIV-ZINC04035390

 MMsINC code: MMs00923699
Type: Neutral
Formula: C23H25FN2O4
SMILES:   Fc1ccc(cc1)C1N(C(=O)CCC1C(=O)N1CCOCC1)c1ccc(OC)cc1
InChI:   InChI=1/C23H25FN2O4/c1-29-19-8-6-18(7-9-19)26-21(27)11-10-20(23(28)25-12-14-30-15-13-25)22(26)16-2-4-17(24)5-3-16/h2-9,20,22H,10-15H2,1H3/t20-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.461 g/mol  logS: -3.94131  SlogP: 3.2729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177718  Sterimol/B1: 4.22513  Sterimol/B2: 4.41209  Sterimol/B3: 5.14823
  Sterimol/B4: 6.99784  Sterimol/L: 15.7044 
 
 Surface and Volume Properties
  Accessible surface: 604.644  Positive charged surface: 441.777  Negative charged surface: 162.868  Volume: 382.125
  Hydrophobic surface: 545.215  Hydrophilic surface: 59.429
 
 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.