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NANOSIN-ZINC00252307

 MMsINC code: MMs02191696
Type: Neutral
Formula: C15H13Cl2N3O2
SMILES:   Clc1cc(\C=N\NC(=O)CNc2ccc(Cl)cc2)c(O)cc1
InChI:   InChI=1/C15H13Cl2N3O2/c16-11-1-4-13(5-2-11)18-9-15(22)20-19-8-10-7-12(17)3-6-14(10)21/h1-8,18,21H,9H2,(H,20,22)/b19-8+

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Potential Energy
Epot(MMFF94)=99.2565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.194 g/mol  logS: -4.46768  SlogP: 3.2612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00268152  Sterimol/B1: 2.31981  Sterimol/B2: 2.42865  Sterimol/B3: 2.64846
  Sterimol/B4: 5.23237  Sterimol/L: 20.746 
 
 Surface and Volume Properties
  Accessible surface: 579.063  Positive charged surface: 284.179  Negative charged surface: 294.884  Volume: 293.75
  Hydrophobic surface: 449.502  Hydrophilic surface: 129.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.