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CHEMBRIDGE-ZINC02932008

 MMsINC code: MMs00742168
Type: Neutral
Formula: C11H16ClNO2
SMILES:   Clc1ccccc1OCCNCCOC
InChI:   InChI=1/C11H16ClNO2/c1-14-8-6-13-7-9-15-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.2727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.707 g/mol  logS: -2.07913  SlogP: 1.9548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913127  Sterimol/B1: 2.35946  Sterimol/B2: 2.55724  Sterimol/B3: 5.5691
  Sterimol/B4: 5.81483  Sterimol/L: 14.8201 
 
 Surface and Volume Properties
  Accessible surface: 486.023  Positive charged surface: 340.738  Negative charged surface: 145.286  Volume: 223.875
  Hydrophobic surface: 466.413  Hydrophilic surface: 19.61
 
 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


MMs00742169
CHEMBRIDGE-ZINC02932008