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PUBCHEM-ZINC05317483

 MMsINC code: MMs03238751
Type: Neutral
Formula: C19H20Cl2N2
SMILES:   Clc1cc2N(c3cc(Cl)ccc3C=Cc2cc1)CCCN(C)C
InChI:   InChI=1/C19H20Cl2N2/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23/h4-9,12-13H,3,10-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.289 g/mol  logS: -5.30617  SlogP: 5.567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202943  Sterimol/B1: 2.48454  Sterimol/B2: 4.45306  Sterimol/B3: 4.60955
  Sterimol/B4: 8.46121  Sterimol/L: 14.6972 
 
 Surface and Volume Properties
  Accessible surface: 590.006  Positive charged surface: 349.308  Negative charged surface: 240.698  Volume: 330
  Hydrophobic surface: 585.283  Hydrophilic surface: 4.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03238752
PUBCHEM-ZINC05317483