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PUBCHEM-ZINC05699639

 MMsINC code: MMs03352657
Type: Neutral
Formula: C10H12Cl2N2
SMILES:   Clc1cc(Cl)ccc1C1NCCN1C
InChI:   InChI=1/C10H12Cl2N2/c1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12/h2-3,6,10,13H,4-5H2,1H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.126 g/mol  logS: -2.52142  SlogP: 2.6225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107652  Sterimol/B1: 2.55994  Sterimol/B2: 2.91111  Sterimol/B3: 4.12575
  Sterimol/B4: 5.39897  Sterimol/L: 12.0482 
 
 Surface and Volume Properties
  Accessible surface: 399.17  Positive charged surface: 235.751  Negative charged surface: 163.419  Volume: 203
  Hydrophobic surface: 378.084  Hydrophilic surface: 21.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.