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PUBCHEM-ZINC05317485

 MMsINC code: MMs03238753
Type: Neutral
Formula: C19H22Cl2N2
SMILES:   Clc1cc2N(c3cc(Cl)ccc3CCc2cc1)CCCN(C)C
InChI:   InChI=1/C19H22Cl2N2/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/h6-9,12-13H,3-5,10-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.7682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.305 g/mol  logS: -4.92329  SlogP: 5.18174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265837  Sterimol/B1: 4.28364  Sterimol/B2: 4.69643  Sterimol/B3: 5.89911
  Sterimol/B4: 7.22201  Sterimol/L: 12.3819 
 
 Surface and Volume Properties
  Accessible surface: 600.324  Positive charged surface: 357.774  Negative charged surface: 242.551  Volume: 336.375
  Hydrophobic surface: 593.318  Hydrophilic surface: 7.006
 
 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


MMs03238754
PUBCHEM-ZINC05317485