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ENAMINE-ZINC03412184

 MMsINC code: MMs01426517
Type: Neutral
Formula: C17H11FN4O3S
SMILES:   s1c2cc(F)ccc2nc1NC(=O)CN1NC(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C17H11FN4O3S/c18-9-5-6-12-13(7-9)26-17(19-12)20-14(23)8-22-16(25)11-4-2-1-3-10(11)15(24)21-22/h1-7H,8H2,(H,21,24)(H,19,20,23)

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Potential Energy
Epot(MMFF94)=84.6391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.364 g/mol  logS: -5.41017  SlogP: 2.1747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611567  Sterimol/B1: 2.81942  Sterimol/B2: 4.16067  Sterimol/B3: 4.53455
  Sterimol/B4: 5.98822  Sterimol/L: 18.2558 
 
 Surface and Volume Properties
  Accessible surface: 583.013  Positive charged surface: 299.354  Negative charged surface: 283.659  Volume: 304.5
  Hydrophobic surface: 399.849  Hydrophilic surface: 183.164
 
 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.