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CHEMDIV-ZINC06805212

 MMsINC code: MMs01032412
Type: Neutral
Formula: C18H13ClFN3O2
SMILES:   Clc1cc(NC(=O)Cn2ncc3c2-c2c(OC3)cccc2)ccc1F
InChI:   InChI=1/C18H13ClFN3O2/c19-14-7-12(5-6-15(14)20)22-17(24)9-23-18-11(8-21-23)10-25-16-4-2-1-3-13(16)18/h1-8H,9-10H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=98.122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.772 g/mol  logS: -5.30859  SlogP: 4.4065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113443  Sterimol/B1: 2.9075  Sterimol/B2: 2.94891  Sterimol/B3: 4.93516
  Sterimol/B4: 8.19934  Sterimol/L: 15.9701 
 
 Surface and Volume Properties
  Accessible surface: 566.02  Positive charged surface: 306.111  Negative charged surface: 259.909  Volume: 306.875
  Hydrophobic surface: 483.332  Hydrophilic surface: 82.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.