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PUBCHEM-ZINC04238645

 MMsINC code: MMs03106268
Type: Neutral
Formula: C19H12ClFN4O
SMILES:   Clc1ccccc1CN1c2ncncc2N=C(c2cc(F)ccc2)C1=O
InChI:   InChI=1/C19H12ClFN4O/c20-15-7-2-1-4-13(15)10-25-18-16(9-22-11-23-18)24-17(19(25)26)12-5-3-6-14(21)8-12/h1-9,11H,10H2

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Potential Energy
Epot(MMFF94)=100.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.783 g/mol  logS: -5.86465  SlogP: 4.2031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0708282  Sterimol/B1: 2.64631  Sterimol/B2: 4.39027  Sterimol/B3: 4.55895
  Sterimol/B4: 6.92403  Sterimol/L: 14.9032 
 
 Surface and Volume Properties
  Accessible surface: 551.471  Positive charged surface: 313.795  Negative charged surface: 237.676  Volume: 315.625
  Hydrophobic surface: 462.565  Hydrophilic surface: 88.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.