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CHEMBRIDGE-ZINC01302589

 MMsINC code: MMs00693783
Type: Neutral
Formula: C24H24FNO4
SMILES:   Fc1ccccc1C(=O)NC(c1cc(OC)c(OC)cc1)c1ccc(OCC)cc1
InChI:   InChI=1/C24H24FNO4/c1-4-30-18-12-9-16(10-13-18)23(17-11-14-21(28-2)22(15-17)29-3)26-24(27)19-7-5-6-8-20(19)25/h5-15,23H,4H2,1-3H3,(H,26,27)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.457 g/mol  logS: -5.84014  SlogP: 4.8565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243971  Sterimol/B1: 4.47318  Sterimol/B2: 5.11282  Sterimol/B3: 5.89604
  Sterimol/B4: 8.45662  Sterimol/L: 16.556 
 
 Surface and Volume Properties
  Accessible surface: 714.127  Positive charged surface: 471.581  Negative charged surface: 242.546  Volume: 393.75
  Hydrophobic surface: 638.691  Hydrophilic surface: 75.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.