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PUBCHEM-ZINC01998711

 MMsINC code: MMs02841150
Type: Neutral
Formula: C11H15Cl2N
SMILES:   Clc1cc(ccc1)CN(CCCl)CC
InChI:   InChI=1/C11H15Cl2N/c1-2-14(7-6-12)9-10-4-3-5-11(13)8-10/h3-5,8H,2,6-7,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.154 g/mol  logS: -3.08311  SlogP: 3.6671  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.160745  Sterimol/B1: 2.12117  Sterimol/B2: 3.39345  Sterimol/B3: 3.56203
  Sterimol/B4: 7.79579  Sterimol/L: 11.566 
 
 Surface and Volume Properties
  Accessible surface: 450.046  Positive charged surface: 224.922  Negative charged surface: 225.124  Volume: 222.125
  Hydrophobic surface: 350.021  Hydrophilic surface: 100.025
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02841151
PUBCHEM-ZINC01998711