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ASINEX-ZINC00851759

 MMsINC code: MMs00192871
Type: Neutral
Formula: C15H13Cl2N5O3
SMILES:   Clc1cc(NC(=O)Cn2c3c(nc2)N(C)C(=O)N(C)C3=O)cc(Cl)c1
InChI:   InChI=1/C15H13Cl2N5O3/c1-20-13-12(14(24)21(2)15(20)25)22(7-18-13)6-11(23)19-10-4-8(16)3-9(17)5-10/h3-5,7H,6H2,1-2H3,(H,19,23)

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Potential Energy
Epot(MMFF94)=15.2224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.207 g/mol  logS: -4.15334  SlogP: 2.7368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125088  Sterimol/B1: 3.87403  Sterimol/B2: 4.21485  Sterimol/B3: 5.15996
  Sterimol/B4: 6.18581  Sterimol/L: 16.299 
 
 Surface and Volume Properties
  Accessible surface: 591.734  Positive charged surface: 341.023  Negative charged surface: 250.71  Volume: 312.125
  Hydrophobic surface: 468.716  Hydrophilic surface: 123.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.