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ASINEX-ZINC04140857

 MMsINC code: MMs00310208
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1ccccc1N1C(=O)C(N2CCN(CC2)c2ccccc2O)CC1=O
InChI:   InChI=1/C20H20FN3O3/c21-14-5-1-2-6-15(14)24-19(26)13-17(20(24)27)23-11-9-22(10-12-23)16-7-3-4-8-18(16)25/h1-8,17,25H,9-13H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=175.228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.396 g/mol  logS: -3.60056  SlogP: 1.9854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769211  Sterimol/B1: 3.19854  Sterimol/B2: 4.33454  Sterimol/B3: 4.98044
  Sterimol/B4: 5.10586  Sterimol/L: 17.399 
 
 Surface and Volume Properties
  Accessible surface: 599.452  Positive charged surface: 352.928  Negative charged surface: 246.523  Volume: 338.25
  Hydrophobic surface: 479.525  Hydrophilic surface: 119.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.