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PUBCHEM-ZINC06536150

 MMsINC code: MMs03787090
Type: Neutral
Formula: C14H14Cl2N2
SMILES:   Clc1ccc(cc1)C(N)C(N)c1ccc(Cl)cc1
InChI:   InChI=1/C14H14Cl2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2/t13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.7219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.186 g/mol  logS: -3.97764  SlogP: 3.8842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673451  Sterimol/B1: 2.43377  Sterimol/B2: 3.01714  Sterimol/B3: 4.07651
  Sterimol/B4: 4.789  Sterimol/L: 16.6662 
 
 Surface and Volume Properties
  Accessible surface: 486.159  Positive charged surface: 213.591  Negative charged surface: 272.568  Volume: 255.625
  Hydrophobic surface: 412.109  Hydrophilic surface: 74.05
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03787091
PUBCHEM-ZINC06536150