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CHEMBRIDGE-ZINC04105118

 MMsINC code: MMs00761702
Type: Neutral
Formula: C10H13Cl2NO
SMILES:   Clc1cc(Cl)ccc1OCCN(C)C
InChI:   InChI=1/C10H13Cl2NO/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.2035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.126 g/mol  logS: -2.80173  SlogP: 2.9338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822385  Sterimol/B1: 2.37256  Sterimol/B2: 2.84684  Sterimol/B3: 4.52829
  Sterimol/B4: 5.80544  Sterimol/L: 14.0503 
 
 Surface and Volume Properties
  Accessible surface: 451.129  Positive charged surface: 267.758  Negative charged surface: 183.371  Volume: 212.875
  Hydrophobic surface: 448.728  Hydrophilic surface: 2.401
 
 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


MMs00761703
CHEMBRIDGE-ZINC04105118