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ASINEX-ZINC01219060

MMsINC code: MMs00231597

Type: Neutral
Formula: C23H17ClN2O2
SMILES:   Clc1ccccc1C(NC(=O)c1ccccc1)c1ccc2c(nccc2)c1O
InChI:   InChI=1/C23H17ClN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=107.01 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.854 g/mol  logS: -6.02769  SlogP: 5.2087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141829  Sterimol/B1: 2.85604  Sterimol/B2: 3.07411  Sterimol/B3: 5.42312
  Sterimol/B4: 9.82724  Sterimol/L: 15.9599 
 
 Surface and Volume Properties
  Accessible surface: 632.272  Positive charged surface: 324.018  Negative charged surface: 302.558  Volume: 361.125
  Hydrophobic surface: 551.055  Hydrophilic surface: 81.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.