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CHEMBRIDGE-ZINC02931527

 MMsINC code: MMs00742038
Type: Neutral
Formula: C11H15Cl2NO2
SMILES:   Clc1cc(Cl)ccc1OCCNCCOC
InChI:   InChI=1/C11H15Cl2NO2/c1-15-6-4-14-5-7-16-11-3-2-9(12)8-10(11)13/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)=50.5301 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: 0.090066  Sterimol/B1: 2.34981  Sterimol/B2: 2.5539  Sterimol/B3: 5.59544
  Sterimol/B4: 5.8503  Sterimol/L: 15.9777 
 
 Surface and Volume Properties
  Accessible surface: 513.126  Positive charged surface: 322.754  Negative charged surface: 190.372  Volume: 240.375
  Hydrophobic surface: 493.037  Hydrophilic surface: 20.089
 
 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


MMs00742039
CHEMBRIDGE-ZINC02931527