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CHEMDIV-ZINC04757170

MMsINC code: MMs00947115

Type: Neutral
Formula: C26H24F2N2O3
SMILES:   Fc1ccc(cc1)C1N(C(=O)CCC1C(=O)NCc1ccc(F)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C26H24F2N2O3/c1-33-22-12-10-21(11-13-22)30-24(31)15-14-23(25(30)18-4-8-20(28)9-5-18)26(32)29-16-17-2-6-19(27)7-3-17/h2-13,23,25H,14-16H2,1H3,(H,29,32)/t23-,25+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=115.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.485 g/mol  logS: -5.8187  SlogP: 5.136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789859  Sterimol/B1: 2.49187  Sterimol/B2: 5.32395  Sterimol/B3: 5.74399
  Sterimol/B4: 6.11273  Sterimol/L: 20.8318 
 
 Surface and Volume Properties
  Accessible surface: 711.12  Positive charged surface: 440.649  Negative charged surface: 270.471  Volume: 416.75
  Hydrophobic surface: 642.573  Hydrophilic surface: 68.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.