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PUBCHEM-ZINC02015710

 MMsINC code: MMs02851997
Type: Neutral
Formula: C11H15Cl2NO
SMILES:   Clc1cccc(Cl)c1OC(CN(C)C)C
InChI:   InChI=1/C11H15Cl2NO/c1-8(7-14(2)3)15-11-9(12)5-4-6-10(11)13/h4-6,8H,7H2,1-3H3/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.7179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.153 g/mol  logS: -3.12894  SlogP: 3.3223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768075  Sterimol/B1: 2.50725  Sterimol/B2: 3.04717  Sterimol/B3: 3.65549
  Sterimol/B4: 6.29575  Sterimol/L: 13.291 
 
 Surface and Volume Properties
  Accessible surface: 438.875  Positive charged surface: 263.963  Negative charged surface: 174.913  Volume: 230.625
  Hydrophobic surface: 417.344  Hydrophilic surface: 21.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02851998
PUBCHEM-ZINC02015710