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PUBCHEM-ZINC02981884

 MMsINC code: MMs02973543
Type: Neutral
Formula: C26H23FN2O4
SMILES:   Fc1ccc(cc1)\C=C(\NC(=O)c1ccccc1)/C(=O)NC(C(OCc1ccccc1)=O)C
InChI:   InChI=1/C26H23FN2O4/c1-18(26(32)33-17-20-8-4-2-5-9-20)28-25(31)23(16-19-12-14-22(27)15-13-19)29-24(30)21-10-6-3-7-11-21/h2-16,18H,17H2,1H3,(H,28,31)(H,29,30)/b23-16-/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.21 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.478 g/mol  logS: -6.84111  SlogP: 4.1111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400334  Sterimol/B1: 2.20045  Sterimol/B2: 5.27145  Sterimol/B3: 5.53829
  Sterimol/B4: 8.07279  Sterimol/L: 20.7825 
 
 Surface and Volume Properties
  Accessible surface: 756.201  Positive charged surface: 402.394  Negative charged surface: 353.807  Volume: 424
  Hydrophobic surface: 642.637  Hydrophilic surface: 113.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.