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CHEMBRIDGE-ZINC02823164

 MMsINC code: MMs00719734
Type: Neutral
Formula: C11H16ClNO
SMILES:   Clc1cc(OCCCN(C)C)ccc1
InChI:   InChI=1/C11H16ClNO/c1-13(2)7-4-8-14-11-6-3-5-10(12)9-11/h3,5-6,9H,4,7-8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.8566 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: 0.0334373  Sterimol/B1: 2.38406  Sterimol/B2: 3.58748  Sterimol/B3: 4.11983
  Sterimol/B4: 4.76363  Sterimol/L: 14.7193 
 
 Surface and Volume Properties
  Accessible surface: 456.244  Positive charged surface: 308.677  Negative charged surface: 147.567  Volume: 215.625
  Hydrophobic surface: 447.583  Hydrophilic surface: 8.661
 
 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


MMs00719735
CHEMBRIDGE-ZINC02823164