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CHEMBRIDGE-ZINC04545836

 MMsINC code: MMs00771183
Type: Neutral
Formula: C10H10Cl2N2
SMILES:   Clc1cccc(Cl)c1C1N2N1CCC2
InChI:   InChI=1/C10H10Cl2N2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14(10)13/h1,3-4,10H,2,5-6H2/t10-,13-,14+

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Potential Energy
Epot(MMFF94)=43.4372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.11 g/mol  logS: -2.64102  SlogP: 3.0238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492448  Sterimol/B1: 2.72693  Sterimol/B2: 3.06634  Sterimol/B3: 4.58098
  Sterimol/B4: 4.87415  Sterimol/L: 12.0961 
 
 Surface and Volume Properties
  Accessible surface: 398.114  Positive charged surface: 210.829  Negative charged surface: 187.285  Volume: 196.75
  Hydrophobic surface: 382.212  Hydrophilic surface: 15.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00771184
CHEMBRIDGE-ZINC04545836