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ASINEX-ZINC00262270

 MMsINC code: MMs00102149
Type: Neutral
Formula: C8H10ClFN2O3
SMILES:   ClCC(F)COCC1=CNC(=O)NC1=O
InChI:   InChI=1/C8H10ClFN2O3/c9-1-6(10)4-15-3-5-2-11-8(14)12-7(5)13/h2,6H,1,3-4H2,(H2,11,12,13,14)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-7.39963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.63 g/mol  logS: -1.65425  SlogP: 0.7231  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0498374  Sterimol/B1: 2.99697  Sterimol/B2: 3.30652  Sterimol/B3: 3.44491
  Sterimol/B4: 4.91861  Sterimol/L: 13.1068 
 
 Surface and Volume Properties
  Accessible surface: 410.934  Positive charged surface: 216.374  Negative charged surface: 194.56  Volume: 188.125
  Hydrophobic surface: 149.9  Hydrophilic surface: 261.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.