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ASINEX-ZINC00815197

 MMsINC code: MMs00178235
Type: Neutral
Formula: C14H10ClF2N5O
SMILES:   Clc1cc(NC(=O)c2nc3n(n2)C(=CC(=N3)C)C(F)F)ccc1
InChI:   InChI=1/C14H10ClF2N5O/c1-7-5-10(11(16)17)22-14(18-7)20-12(21-22)13(23)19-9-4-2-3-8(15)6-9/h2-6,11H,1H3,(H,19,23)

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Potential Energy
Epot(MMFF94)=82.0896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.717 g/mol  logS: -4.72655  SlogP: 3.8157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184948  Sterimol/B1: 2.46306  Sterimol/B2: 3.00347  Sterimol/B3: 3.47461
  Sterimol/B4: 6.72482  Sterimol/L: 16.6589 
 
 Surface and Volume Properties
  Accessible surface: 543.675  Positive charged surface: 243.453  Negative charged surface: 300.222  Volume: 274.25
  Hydrophobic surface: 346.237  Hydrophilic surface: 197.438
 
 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.