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NCID-ZINC00284540

 MMsINC code: MMs02213921
Type: Neutral
Formula: C17H20ClNO
SMILES:   Clc1ccc(cc1)C(OCCN(C)C)c1ccccc1
InChI:   InChI=1/C17H20ClNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.806 g/mol  logS: -3.90116  SlogP: 4.1031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201454  Sterimol/B1: 3.9813  Sterimol/B2: 4.0433  Sterimol/B3: 5.62715
  Sterimol/B4: 5.78125  Sterimol/L: 14.1202 
 
 Surface and Volume Properties
  Accessible surface: 545.331  Positive charged surface: 351.581  Negative charged surface: 193.75  Volume: 297
  Hydrophobic surface: 545.331  Hydrophilic surface: 0
 
 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


MMs02213922
NCID-ZINC00284540