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PUBCHEM-ZINC00498483

MMsINC code: MMs02693520

Type: Neutral
Formula: C16H19ClN2O
SMILES:   Clc1cc(NCc2ccc(N(C)C)cc2)ccc1OC
InChI:   InChI=1/C16H19ClN2O/c1-19(2)14-7-4-12(5-8-14)11-18-13-6-9-16(20-3)15(17)10-13/h4-10,18H,11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=89.3936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.794 g/mol  logS: -3.66132  SlogP: 4.2931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554645  Sterimol/B1: 2.35802  Sterimol/B2: 3.05518  Sterimol/B3: 4.88819
  Sterimol/B4: 5.51381  Sterimol/L: 18.3607 
 
 Surface and Volume Properties
  Accessible surface: 555.438  Positive charged surface: 383.063  Negative charged surface: 172.375  Volume: 288.375
  Hydrophobic surface: 532.045  Hydrophilic surface: 23.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.