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PUBCHEM-ZINC06529251

 MMsINC code: MMs03784891
Type: Neutral
Formula: C24H23FN2O3
SMILES:   Fc1ccc(cc1)CNC(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)CO
InChI:   InChI=1/C24H23FN2O3/c25-20-13-11-17(12-14-20)15-26-23(29)21(16-28)27-24(30)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22,28H,15-16H2,(H,26,29)(H,27,30)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.75 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.457 g/mol  logS: -5.26785  SlogP: 3.0175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816284  Sterimol/B1: 2.12996  Sterimol/B2: 3.42124  Sterimol/B3: 4.75351
  Sterimol/B4: 9.14348  Sterimol/L: 18.9359 
 
 Surface and Volume Properties
  Accessible surface: 697.427  Positive charged surface: 402.832  Negative charged surface: 294.595  Volume: 389
  Hydrophobic surface: 591.6  Hydrophilic surface: 105.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.