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CHEMDIV-ZINC00129813

MMsINC code: MMs00834158

Type: Neutral
Formula: C18H20ClNO2
SMILES:   Clc1cc(C)c(OC(C(=O)NC(C)c2ccccc2)C)cc1
InChI:   InChI=1/C18H20ClNO2/c1-12-11-16(19)9-10-17(12)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,20,21)/t13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=74.92 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.816 g/mol  logS: -4.92491  SlogP: 4.38862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061905  Sterimol/B1: 2.03294  Sterimol/B2: 3.26201  Sterimol/B3: 4.58912
  Sterimol/B4: 6.61375  Sterimol/L: 17.8619 
 
 Surface and Volume Properties
  Accessible surface: 593.717  Positive charged surface: 313.649  Negative charged surface: 280.068  Volume: 311.375
  Hydrophobic surface: 522.169  Hydrophilic surface: 71.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.