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ACROSORGANICS-ZINC00154585

 MMsINC code: MMs00004946
Type: Neutral
Formula: C6H5Cl2N
SMILES:   Clc1ccc(Cl)cc1N
InChI:   InChI=1/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.5925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.019 g/mol  logS: -2.57434  SlogP: 2.5756  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.70615e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09862  Sterimol/B3: 4.09731
  Sterimol/B4: 4.65191  Sterimol/L: 8.80168 
 
 Surface and Volume Properties
  Accessible surface: 308.711  Positive charged surface: 116.234  Negative charged surface: 192.477  Volume: 134.125
  Hydrophobic surface: 255.79  Hydrophilic surface: 52.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.