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CHEMBRIDGE-ZINC00271469

 MMsINC code: MMs00599367
Type: Neutral
Formula: C15H14ClNO
SMILES:   Clc1cc(/C(=N/Cc2ccccc2)/C)c(O)cc1
InChI:   InChI=1/C15H14ClNO/c1-11(14-9-13(16)7-8-15(14)18)17-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3/b17-11-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.7713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.736 g/mol  logS: -3.93216  SlogP: 4.3212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2423  Sterimol/B1: 2.46199  Sterimol/B2: 2.6119  Sterimol/B3: 6.53596
  Sterimol/B4: 6.62307  Sterimol/L: 12.7492 
 
 Surface and Volume Properties
  Accessible surface: 479.532  Positive charged surface: 242.617  Negative charged surface: 236.915  Volume: 251.875
  Hydrophobic surface: 434.619  Hydrophilic surface: 44.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00599368
CHEMBRIDGE-ZINC00271469