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CHEMDIV-ZINC01605367

 MMsINC code: MMs00867396
Type: Neutral
Formula: C11H10ClNO4
SMILES:   Clc1cc2OC(=O)N(c2cc1)CC(OCC)=O
InChI:   InChI=1/C11H10ClNO4/c1-2-16-10(14)6-13-8-4-3-7(12)5-9(8)17-11(13)15/h3-5H,2,6H2,1H3

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Potential Energy
Epot(MMFF94)=42.9483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.657 g/mol  logS: -3.52604  SlogP: 2.2219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0629329  Sterimol/B1: 2.79726  Sterimol/B2: 3.44247  Sterimol/B3: 3.62634
  Sterimol/B4: 5.75003  Sterimol/L: 14.8804 
 
 Surface and Volume Properties
  Accessible surface: 452.236  Positive charged surface: 240.946  Negative charged surface: 211.29  Volume: 215.875
  Hydrophobic surface: 320.301  Hydrophilic surface: 131.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.