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PUBCHEM-ZINC00491865

 MMsINC code: MMs02692562
Type: Neutral
Formula: C15H13Cl2N3O2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)N\N=C\c1cccnc1)C
InChI:   InChI=1/C15H13Cl2N3O2/c1-10(22-14-5-4-12(16)7-13(14)17)15(21)20-19-9-11-3-2-6-18-8-11/h2-10H,1H3,(H,20,21)/b19-9+/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=99.6432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.194 g/mol  logS: -4.15262  SlogP: 3.306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289132  Sterimol/B1: 2.28484  Sterimol/B2: 2.40261  Sterimol/B3: 5.04914
  Sterimol/B4: 6.37601  Sterimol/L: 19.4803 
 
 Surface and Volume Properties
  Accessible surface: 579.944  Positive charged surface: 298.032  Negative charged surface: 281.912  Volume: 294.375
  Hydrophobic surface: 465.778  Hydrophilic surface: 114.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.