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CHEMDIV-ZINC06921164

 MMsINC code: MMs01063470
Type: Neutral
Formula: C23H24F2N2O2
SMILES:   Fc1ccccc1C1(N(Cc2ccc(F)cc2)C(=O)C1)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H24F2N2O2/c24-17-12-10-16(11-13-17)15-27-21(28)14-23(27,19-8-4-5-9-20(19)25)22(29)26-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,26,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.2281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.453 g/mol  logS: -5.45735  SlogP: 4.6194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147572  Sterimol/B1: 2.86046  Sterimol/B2: 5.30134  Sterimol/B3: 5.73687
  Sterimol/B4: 6.34524  Sterimol/L: 14.754 
 
 Surface and Volume Properties
  Accessible surface: 592.04  Positive charged surface: 329.793  Negative charged surface: 235.282  Volume: 375.125
  Hydrophobic surface: 533.626  Hydrophilic surface: 58.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.