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ASINEX-ZINC00030113

 MMsINC code: MMs00060103
Type: Neutral
Formula: C18H18Cl2N2O
SMILES:   Clc1ccc(Cl)cc1C(=O)N1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C18H18Cl2N2O/c19-15-6-7-17(20)16(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)=93.2177 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: 0.0687128  Sterimol/B1: 3.11293  Sterimol/B2: 4.12209  Sterimol/B3: 4.79831
  Sterimol/B4: 4.99465  Sterimol/L: 16.844 
 
 Surface and Volume Properties
  Accessible surface: 576.683  Positive charged surface: 306.281  Negative charged surface: 270.402  Volume: 321.125
  Hydrophobic surface: 544.437  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


MMs00060104
ASINEX-ZINC00030113