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ASINEX-ZINC01359292

 MMsINC code: MMs00245511
Type: Neutral
Formula: C21H21FN2O3
SMILES:   Fc1ccc(cc1)C(=O)N(Cc1cc2cc(ccc2nc1O)CC)CCO
InChI:   InChI=1/C21H21FN2O3/c1-2-14-3-8-19-16(11-14)12-17(20(26)23-19)13-24(9-10-25)21(27)15-4-6-18(22)7-5-15/h3-8,11-12,25H,2,9-10,13H2,1H3,(H,23,26)

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Potential Energy
Epot(MMFF94)=102.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.408 g/mol  logS: -4.81235  SlogP: 3.54297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17726  Sterimol/B1: 2.90496  Sterimol/B2: 4.88437  Sterimol/B3: 6.38168
  Sterimol/B4: 7.4637  Sterimol/L: 14.9528 
 
 Surface and Volume Properties
  Accessible surface: 613.299  Positive charged surface: 379.13  Negative charged surface: 230.827  Volume: 346.25
  Hydrophobic surface: 449.356  Hydrophilic surface: 163.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.