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MAYBRIDGE-ZINC04300242

MMsINC code: MMs02163800

Type: Neutral
Formula: C14H11ClFN3O3S
SMILES:   Clc1cc(NC(=O)C/C(=N/OC(=O)c2sccc2)/N)ccc1F
InChI:   InChI=1/C14H11ClFN3O3S/c15-9-6-8(3-4-10(9)16)18-13(20)7-12(17)19-22-14(21)11-2-1-5-23-11/h1-6H,7H2,(H2,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=109.517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.777 g/mol  logS: -4.87462  SlogP: 2.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161767  Sterimol/B1: 2.94868  Sterimol/B2: 2.98375  Sterimol/B3: 3.26092
  Sterimol/B4: 7.62924  Sterimol/L: 18.2429 
 
 Surface and Volume Properties
  Accessible surface: 573.779  Positive charged surface: 271.953  Negative charged surface: 301.826  Volume: 285.625
  Hydrophobic surface: 435.013  Hydrophilic surface: 138.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.