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PUBCHEM-ZINC00336305

 MMsINC code: MMs02657854
Type: Neutral
Formula: C7H9ClN2O2
SMILES:   ClC=1NC(=O)N(C(C)C)C(=O)C=1
InChI:   InChI=1/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)

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Potential Energy
Epot(MMFF94)=-15.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.614 g/mol  logS: -2.08152  SlogP: 1.1357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196651  Sterimol/B1: 2.37399  Sterimol/B2: 3.57528  Sterimol/B3: 4.28428
  Sterimol/B4: 4.87454  Sterimol/L: 11.0596 
 
 Surface and Volume Properties
  Accessible surface: 349.498  Positive charged surface: 171.874  Negative charged surface: 177.624  Volume: 159.125
  Hydrophobic surface: 209.563  Hydrophilic surface: 139.935
 
 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.