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PUBCHEM-ZINC00218147

 MMsINC code: MMs02641312
Type: Neutral
Formula: C14H22Cl2N2
SMILES:   Clc1cccc(Cl)c1CN(CCN(CC)CC)C
InChI:   InChI=1/C14H22Cl2N2/c1-4-18(5-2)10-9-17(3)11-12-13(15)7-6-8-14(12)16/h6-8H,4-5,9-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.25 g/mol  logS: -3.27722  SlogP: 4.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764623  Sterimol/B1: 2.84179  Sterimol/B2: 3.3838  Sterimol/B3: 4.29289
  Sterimol/B4: 5.90026  Sterimol/L: 15.1078 
 
 Surface and Volume Properties
  Accessible surface: 528.985  Positive charged surface: 327.112  Negative charged surface: 201.873  Volume: 286.25
  Hydrophobic surface: 477.721  Hydrophilic surface: 51.264
 
 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


MMs02641313
PUBCHEM-ZINC00218147