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ASINEX-ZINC00815199

 MMsINC code: MMs00178237
Type: Neutral
Formula: C14H9Cl2F2N5O
SMILES:   Clc1ccc(Cl)cc1NC(=O)c1nc2n(n1)C(=CC(=N2)C)C(F)F
InChI:   InChI=1/C14H9Cl2F2N5O/c1-6-4-10(11(17)18)23-14(19-6)21-12(22-23)13(24)20-9-5-7(15)2-3-8(9)16/h2-5,11H,1H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=89.194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.162 g/mol  logS: -5.46084  SlogP: 4.4691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154212  Sterimol/B1: 2.67631  Sterimol/B2: 2.82638  Sterimol/B3: 3.25663
  Sterimol/B4: 6.92117  Sterimol/L: 16.6604 
 
 Surface and Volume Properties
  Accessible surface: 564.086  Positive charged surface: 222.251  Negative charged surface: 341.835  Volume: 284.375
  Hydrophobic surface: 375.339  Hydrophilic surface: 188.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.