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PUBCHEM-ZINC00292066

 MMsINC code: MMs02650910
Type: Neutral
Formula: C19H22Cl2N2
SMILES:   Clc1cc(ccc1Cl)CN1CCN(CC1)c1cccc(C)c1C
InChI:   InChI=1/C19H22Cl2N2/c1-14-4-3-5-19(15(14)2)23-10-8-22(9-11-23)13-16-6-7-17(20)18(21)12-16/h3-7,12H,8-11,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.305 g/mol  logS: -5.22989  SlogP: 5.19884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108163  Sterimol/B1: 3.30051  Sterimol/B2: 3.66304  Sterimol/B3: 5.20047
  Sterimol/B4: 5.49485  Sterimol/L: 17.2547 
 
 Surface and Volume Properties
  Accessible surface: 599.113  Positive charged surface: 337.1  Negative charged surface: 262.013  Volume: 336.125
  Hydrophobic surface: 582.452  Hydrophilic surface: 16.661
 
 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


MMs02650911
PUBCHEM-ZINC00292066