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CHEMDIV-ZINC06858206

 MMsINC code: MMs01047710
Type: Neutral
Formula: C23H25FN2O2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NCC1OCCC1
InChI:   InChI=1/C23H25FN2O2/c24-19-10-7-17(8-11-19)15-26-16-18(21-5-1-2-6-22(21)26)9-12-23(27)25-14-20-4-3-13-28-20/h1-2,5-8,10-11,16,20H,3-4,9,12-15H2,(H,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.463 g/mol  logS: -4.41621  SlogP: 4.32287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441539  Sterimol/B1: 2.47664  Sterimol/B2: 3.31215  Sterimol/B3: 4.30504
  Sterimol/B4: 8.98753  Sterimol/L: 20.6309 
 
 Surface and Volume Properties
  Accessible surface: 688.642  Positive charged surface: 449.418  Negative charged surface: 234.504  Volume: 376.5
  Hydrophobic surface: 610.989  Hydrophilic surface: 77.653
 
 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.