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ENAMINE-ZINC03525256

 MMsINC code: MMs01491290
Type: Neutral
Formula: C9H7Cl2NO3
SMILES:   Clc1cc(cc(Cl)c1)C(OCC(=O)N)=O
InChI:   InChI=1/C9H7Cl2NO3/c10-6-1-5(2-7(11)3-6)9(14)15-4-8(12)13/h1-3H,4H2,(H2,12,13)

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Potential Energy
Epot(MMFF94)=29.7525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.065 g/mol  logS: -3.51375  SlogP: 1.6355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00683238  Sterimol/B1: 2.37493  Sterimol/B2: 2.37518  Sterimol/B3: 2.69292
  Sterimol/B4: 6.48281  Sterimol/L: 13.7783 
 
 Surface and Volume Properties
  Accessible surface: 428.812  Positive charged surface: 178.077  Negative charged surface: 250.735  Volume: 197.25
  Hydrophobic surface: 278.971  Hydrophilic surface: 149.841
 
 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: no related molecules available.