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CHEMBRIDGE-ZINC02932367

 MMsINC code: MMs00742255
Type: Neutral
Formula: C14H19Cl2NO
SMILES:   Clc1c(OCCCCN2CCCC2)cccc1Cl
InChI:   InChI=1/C14H19Cl2NO/c15-12-6-5-7-13(14(12)16)18-11-4-3-10-17-8-1-2-9-17/h5-7H,1-4,8-11H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.218 g/mol  logS: -3.75765  SlogP: 4.2482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281306  Sterimol/B1: 2.52999  Sterimol/B2: 2.70764  Sterimol/B3: 3.46507
  Sterimol/B4: 6.40971  Sterimol/L: 17.8353 
 
 Surface and Volume Properties
  Accessible surface: 542.49  Positive charged surface: 333.995  Negative charged surface: 208.496  Volume: 272.875
  Hydrophobic surface: 537  Hydrophilic surface: 5.49
 
 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


MMs00742256
CHEMBRIDGE-ZINC02932367