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NANOSIN-ZINC04745865

 MMsINC code: MMs02210898
Type: Neutral
Formula: C17H13ClN2O3
SMILES:   Clc1cc(C(=O)Cc2cn(nc2)-c2ccccc2)c(O)cc1O
InChI:   InChI=1/C17H13ClN2O3/c18-14-7-13(16(22)8-17(14)23)15(21)6-11-9-19-20(10-11)12-4-2-1-3-5-12/h1-5,7-10,22-23H,6H2

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Potential Energy
Epot(MMFF94)=91.3562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.755 g/mol  logS: -3.68346  SlogP: 3.36227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692971  Sterimol/B1: 3.18287  Sterimol/B2: 4.35397  Sterimol/B3: 4.70746
  Sterimol/B4: 5.73373  Sterimol/L: 17.7905 
 
 Surface and Volume Properties
  Accessible surface: 558.328  Positive charged surface: 290.059  Negative charged surface: 268.27  Volume: 293.5
  Hydrophobic surface: 420.876  Hydrophilic surface: 137.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.