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CHEMBLOCK-ZINC01079372

 MMsINC code: MMs00514779
Type: Neutral
Formula: C18H15Cl2FN4O2
SMILES:   Clc1cc(Nc2nc(ncc2F)Nc2cc(Cl)c(OC)cc2)ccc1OC
InChI:   InChI=1/C18H15Cl2FN4O2/c1-26-15-5-3-10(7-12(15)19)23-17-14(21)9-22-18(25-17)24-11-4-6-16(27-2)13(20)8-11/h3-9H,1-2H3,(H2,22,23,24,25)

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Potential Energy
Epot(MMFF94)=100.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.248 g/mol  logS: -6.3057  SlogP: 5.4269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239077  Sterimol/B1: 2.30889  Sterimol/B2: 2.65949  Sterimol/B3: 3.86458
  Sterimol/B4: 9.54684  Sterimol/L: 18.8551 
 
 Surface and Volume Properties
  Accessible surface: 640.441  Positive charged surface: 380.356  Negative charged surface: 260.086  Volume: 345.5
  Hydrophobic surface: 571.796  Hydrophilic surface: 68.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.