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MAYBRIDGE-ZINC01033606

 MMsINC code: MMs02150371
Type: Neutral
Formula: C20H12ClFN4O2
SMILES:   Clc1cc2ncnc(Oc3ncccc3NC(=O)c3ccc(F)cc3)c2cc1
InChI:   InChI=1/C20H12ClFN4O2/c21-13-5-8-15-17(10-13)24-11-25-19(15)28-20-16(2-1-9-23-20)26-18(27)12-3-6-14(22)7-4-12/h1-11H,(H,26,27)

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Potential Energy
Epot(MMFF94)=111.109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.793 g/mol  logS: -6.28077  SlogP: 4.8619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140918  Sterimol/B1: 2.42061  Sterimol/B2: 2.49759  Sterimol/B3: 2.93809
  Sterimol/B4: 11.1879  Sterimol/L: 15.9532 
 
 Surface and Volume Properties
  Accessible surface: 619.331  Positive charged surface: 318.855  Negative charged surface: 294.941  Volume: 336.625
  Hydrophobic surface: 504.827  Hydrophilic surface: 114.504
 
 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.