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ASINEX-ZINC00094100

 MMsINC code: MMs00073761
Type: Neutral
Formula: C15H14ClNO3
SMILES:   Clc1cc(OCC(=O)Nc2ccccc2OC)ccc1
InChI:   InChI=1/C15H14ClNO3/c1-19-14-8-3-2-7-13(14)17-15(18)10-20-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=87.9682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.734 g/mol  logS: -4.21636  SlogP: 3.3661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0138208  Sterimol/B1: 2.38571  Sterimol/B2: 2.54502  Sterimol/B3: 3.33384
  Sterimol/B4: 7.35714  Sterimol/L: 16.1088 
 
 Surface and Volume Properties
  Accessible surface: 533.63  Positive charged surface: 307.203  Negative charged surface: 226.427  Volume: 267.625
  Hydrophobic surface: 477.219  Hydrophilic surface: 56.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.