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NCID-ZINC01586803

 MMsINC code: MMs02242788
Type: Neutral
Formula: C7H11Cl2N2+
SMILES:   ClCc1[n+](ccn1CCCl)C
InChI:   InChI=1/C7H11Cl2N2/c1-10-4-5-11(3-2-8)7(10)6-9/h4-5H,2-3,6H2,1H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.9244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.085 g/mol  logS: -1.08867  SlogP: 2.1822  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.122199  Sterimol/B1: 2.98304  Sterimol/B2: 3.08195  Sterimol/B3: 4.35329
  Sterimol/B4: 4.45927  Sterimol/L: 11.5658 
 
 Surface and Volume Properties
  Accessible surface: 368.402  Positive charged surface: 239.264  Negative charged surface: 129.137  Volume: 175.125
  Hydrophobic surface: 158.704  Hydrophilic surface: 209.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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.