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CHEMDIV-ZINC00029568

 MMsINC code: MMs00829313
Type: Neutral
Formula: C18H18Cl2N2O
SMILES:   Clc1cc(Cl)ccc1C(=O)N1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C18H18Cl2N2O/c19-15-6-7-16(17(20)12-15)18(23)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.8739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.261 g/mol  logS: -4.70823  SlogP: 4.2178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067977  Sterimol/B1: 3.12191  Sterimol/B2: 4.03877  Sterimol/B3: 4.09134
  Sterimol/B4: 4.71204  Sterimol/L: 17.9688 
 
 Surface and Volume Properties
  Accessible surface: 577.419  Positive charged surface: 307.374  Negative charged surface: 270.045  Volume: 318
  Hydrophobic surface: 545.173  Hydrophilic surface: 32.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00829314
CHEMDIV-ZINC00029568