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NCID-ZINC01704391

 MMsINC code: MMs02333204
Type: Neutral
Formula: C11H10Cl2N2
SMILES:   ClCC(CCl)c1nncc2c1cccc2
InChI:   InChI=1/C11H10Cl2N2/c12-5-9(6-13)11-10-4-2-1-3-8(10)7-14-15-11/h1-4,7,9H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.5038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.121 g/mol  logS: -3.59051  SlogP: 3.191  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118189  Sterimol/B1: 3.40717  Sterimol/B2: 3.62176  Sterimol/B3: 3.62466
  Sterimol/B4: 5.57122  Sterimol/L: 11.9214 
 
 Surface and Volume Properties
  Accessible surface: 416.168  Positive charged surface: 196.551  Negative charged surface: 209.96  Volume: 211.125
  Hydrophobic surface: 276.316  Hydrophilic surface: 139.852
 
 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: no related molecules available.