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IBS-ZINC04327027

 MMsINC code: MMs01884806
Type: Neutral
Formula: C12H8Cl2N4O2
SMILES:   Clc1nc(Cl)nn1CCN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C12H8Cl2N4O2/c13-11-15-12(14)18(16-11)6-5-17-9(19)7-3-1-2-4-8(7)10(17)20/h1-4H,5-6H2

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Potential Energy
Epot(MMFF94)=31.8509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.128 g/mol  logS: -4.89364  SlogP: 2.1475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246387  Sterimol/B1: 2.48636  Sterimol/B2: 3.00672  Sterimol/B3: 4.13578
  Sterimol/B4: 4.68417  Sterimol/L: 16.0754 
 
 Surface and Volume Properties
  Accessible surface: 497.234  Positive charged surface: 196.361  Negative charged surface: 300.872  Volume: 247.75
  Hydrophobic surface: 366.093  Hydrophilic surface: 131.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.