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PUBCHEM-ZINC06420720

 MMsINC code: MMs03722637
Type: Neutral
Formula: C26H22FNO3
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(CCc2ccccc2)C(=O)C1=O)c1ccc(cc1)C
InChI:   InChI=1/C26H22FNO3/c1-17-7-9-19(10-8-17)23-22(24(29)20-11-13-21(27)14-12-20)25(30)26(31)28(23)16-15-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.464 g/mol  logS: -6.35921  SlogP: 4.42379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884758  Sterimol/B1: 2.07566  Sterimol/B2: 3.34013  Sterimol/B3: 4.16021
  Sterimol/B4: 9.71775  Sterimol/L: 19.0434 
 
 Surface and Volume Properties
  Accessible surface: 677.984  Positive charged surface: 349.982  Negative charged surface: 328.001  Volume: 393.75
  Hydrophobic surface: 579.21  Hydrophilic surface: 98.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.