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ASINEX-ZINC00309299

 MMsINC code: MMs00115661
Type: Neutral
Formula: C16H14ClNO4
SMILES:   Clc1cc(NC(=O)C2Oc3c(OC2)cccc3)ccc1OC
InChI:   InChI=1/C16H14ClNO4/c1-20-12-7-6-10(8-11(12)17)18-16(19)15-9-21-13-4-2-3-5-14(13)22-15/h2-8,15H,9H2,1H3,(H,18,19)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=98.189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.744 g/mol  logS: -4.41558  SlogP: 3.1271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385139  Sterimol/B1: 2.27728  Sterimol/B2: 2.78258  Sterimol/B3: 3.83288
  Sterimol/B4: 5.9534  Sterimol/L: 18.0011 
 
 Surface and Volume Properties
  Accessible surface: 546.748  Positive charged surface: 324.448  Negative charged surface: 222.299  Volume: 280.5
  Hydrophobic surface: 485.472  Hydrophilic surface: 61.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.