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CHEMBRIDGE-ZINC02823418

 MMsINC code: MMs00719949
Type: Neutral
Formula: C11H16ClNO
SMILES:   Clc1ccccc1OCCCN(C)C
InChI:   InChI=1/C11H16ClNO/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.3271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.708 g/mol  logS: -2.26921  SlogP: 2.6705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336131  Sterimol/B1: 2.37315  Sterimol/B2: 3.05952  Sterimol/B3: 3.59004
  Sterimol/B4: 5.83608  Sterimol/L: 14.7098 
 
 Surface and Volume Properties
  Accessible surface: 454.686  Positive charged surface: 311.481  Negative charged surface: 143.206  Volume: 215.25
  Hydrophobic surface: 450.207  Hydrophilic surface: 4.479
 
 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


MMs00719950
CHEMBRIDGE-ZINC02823418