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PUBCHEM-ZINC01120058

 MMsINC code: MMs02774092
Type: Neutral
Formula: C18H15Cl2FN4O2
SMILES:   Clc1cccc(F)c1Cn1ncc(NC(=O)Nc2cc(Cl)ccc2OC)c1
InChI:   InChI=1/C18H15Cl2FN4O2/c1-27-17-6-5-11(19)7-16(17)24-18(26)23-12-8-22-25(9-12)10-13-14(20)3-2-4-15(13)21/h2-9H,10H2,1H3,(H2,23,24,26)

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Potential Energy
Epot(MMFF94)=78.3559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.248 g/mol  logS: -5.16394  SlogP: 5.2963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380216  Sterimol/B1: 2.56957  Sterimol/B2: 3.88079  Sterimol/B3: 4.16095
  Sterimol/B4: 8.10698  Sterimol/L: 17.8913 
 
 Surface and Volume Properties
  Accessible surface: 637.189  Positive charged surface: 356.44  Negative charged surface: 280.749  Volume: 343
  Hydrophobic surface: 544.101  Hydrophilic surface: 93.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.