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PUBCHEM-ZINC05051339

 MMsINC code: MMs03194214
Type: Neutral
Formula: C23H21FN2O3
SMILES:   Fc1ccc(NC(=O)CN2C(=O)C3C4CC(C3C2=O)CC4c2ccccc2)cc1
InChI:   InChI=1/C23H21FN2O3/c24-15-6-8-16(9-7-15)25-19(27)12-26-22(28)20-14-10-17(13-4-2-1-3-5-13)18(11-14)21(20)23(26)29/h1-9,14,17-18,20-21H,10-12H2,(H,25,27)/t14-,17+,18-,20+,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.43 g/mol  logS: -5.4958  SlogP: 3.189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046693  Sterimol/B1: 3.20429  Sterimol/B2: 3.58041  Sterimol/B3: 4.73933
  Sterimol/B4: 5.93602  Sterimol/L: 19.7375 
 
 Surface and Volume Properties
  Accessible surface: 645.517  Positive charged surface: 360.231  Negative charged surface: 285.286  Volume: 362.625
  Hydrophobic surface: 529.307  Hydrophilic surface: 116.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.