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OAKWOOD-ZINC04242188

 MMsINC code: MMs02548468
Type: Neutral
Formula: C13H16ClNO4
SMILES:   Clc1cc(C(O)=O)c(cc1)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C13H16ClNO4/c1-13(2,3)19-12(18)15-7-8-4-5-9(14)6-10(8)11(16)17/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)

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Potential Energy
Epot(MMFF94)=34.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.727 g/mol  logS: -3.29315  SlogP: 3.3293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767187  Sterimol/B1: 2.58407  Sterimol/B2: 4.12963  Sterimol/B3: 4.37797
  Sterimol/B4: 5.29208  Sterimol/L: 15.5861 
 
 Surface and Volume Properties
  Accessible surface: 511.921  Positive charged surface: 289.466  Negative charged surface: 222.455  Volume: 257.625
  Hydrophobic surface: 333.887  Hydrophilic surface: 178.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02548469
OAKWOOD-ZINC04242188