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IBS-ZINC04749787

 MMsINC code: MMs01891752
Type: Neutral
Formula: C23H19ClN2O2
SMILES:   Clc1ccc(cc1)-c1c[nH]nc1-c1ccc(OCc2ccc(cc2)C)cc1O
InChI:   InChI=1/C23H19ClN2O2/c1-15-2-4-16(5-3-15)14-28-19-10-11-20(22(27)12-19)23-21(13-25-26-23)17-6-8-18(24)9-7-17/h2-13,27H,14H2,1H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=102.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.87 g/mol  logS: -7.30702  SlogP: 6.25652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485913  Sterimol/B1: 3.33467  Sterimol/B2: 3.63341  Sterimol/B3: 5.69735
  Sterimol/B4: 6.96081  Sterimol/L: 18.4467 
 
 Surface and Volume Properties
  Accessible surface: 672.318  Positive charged surface: 362.354  Negative charged surface: 309.964  Volume: 370.5
  Hydrophobic surface: 540.932  Hydrophilic surface: 131.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.