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ENAMINE-ZINC04964347

 MMsINC code: MMs01570167
Type: Neutral
Formula: C15H11Cl3N6
SMILES:   Clc1ccccc1-n1nc(C)c(\C=N\Nc2nnc(Cl)cc2)c1Cl
InChI:   InChI=1/C15H11Cl3N6/c1-9-10(8-19-21-14-7-6-13(17)20-22-14)15(18)24(23-9)12-5-3-2-4-11(12)16/h2-8H,1H3,(H,21,22)/b19-8+

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Potential Energy
Epot(MMFF94)=115.938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.654 g/mol  logS: -5.34554  SlogP: 4.37692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269594  Sterimol/B1: 2.02131  Sterimol/B2: 2.75403  Sterimol/B3: 4.19179
  Sterimol/B4: 9.83749  Sterimol/L: 16.6578 
 
 Surface and Volume Properties
  Accessible surface: 593.255  Positive charged surface: 245.538  Negative charged surface: 347.717  Volume: 314.125
  Hydrophobic surface: 493.001  Hydrophilic surface: 100.254
 
 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.