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PUBCHEM-ZINC00280174

 MMsINC code: MMs02649926
Type: Neutral
Formula: C15H22Cl2N2
SMILES:   Clc1cc(ccc1Cl)CNC1CCN(CC1)CCC
InChI:   InChI=1/C15H22Cl2N2/c1-2-7-19-8-5-13(6-9-19)18-11-12-3-4-14(16)15(17)10-12/h3-4,10,13,18H,2,5-9,11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.261 g/mol  logS: -3.57321  SlogP: 4.2238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394326  Sterimol/B1: 3.19772  Sterimol/B2: 3.20778  Sterimol/B3: 4.27822
  Sterimol/B4: 4.81339  Sterimol/L: 18.349 
 
 Surface and Volume Properties
  Accessible surface: 562.043  Positive charged surface: 346.814  Negative charged surface: 215.229  Volume: 294
  Hydrophobic surface: 518.869  Hydrophilic surface: 43.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02649927
PUBCHEM-ZINC00280174