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ENAMINE-ZINC05163259

 MMsINC code: MMs01593824
Type: Neutral
Formula: C14H11Cl2N3O2
SMILES:   Clc1cc(Cl)cc(/C(=N\NC(=O)c2cccnc2)/C)c1O
InChI:   InChI=1/C14H11Cl2N3O2/c1-8(11-5-10(15)6-12(16)13(11)20)18-19-14(21)9-3-2-4-17-7-9/h2-7,20H,1H3,(H,19,21)/b18-8+

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Potential Energy
Epot(MMFF94)=101.629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.167 g/mol  logS: -3.6928  SlogP: 3.248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00453106  Sterimol/B1: 2.01828  Sterimol/B2: 2.07891  Sterimol/B3: 2.50199
  Sterimol/B4: 7.42306  Sterimol/L: 16.8481 
 
 Surface and Volume Properties
  Accessible surface: 528.649  Positive charged surface: 258.909  Negative charged surface: 269.739  Volume: 272.125
  Hydrophobic surface: 431.108  Hydrophilic surface: 97.541
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.