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CHEMBRIDGE-ZINC03003396

 MMsINC code: MMs00751304
Type: Neutral
Formula: C11H15Cl2NO2
SMILES:   Clc1cc(OCCNCCOC)ccc1Cl
InChI:   InChI=1/C11H15Cl2NO2/c1-15-6-4-14-5-7-16-9-2-3-10(12)11(13)8-9/h2-3,8,14H,4-7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.152 g/mol  logS: -2.81342  SlogP: 2.6082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886765  Sterimol/B1: 2.34067  Sterimol/B2: 3.45262  Sterimol/B3: 4.5855
  Sterimol/B4: 5.84863  Sterimol/L: 15.9779 
 
 Surface and Volume Properties
  Accessible surface: 507.36  Positive charged surface: 321.808  Negative charged surface: 185.552  Volume: 236.875
  Hydrophobic surface: 483.458  Hydrophilic surface: 23.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00751305
CHEMBRIDGE-ZINC03003396