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PUBCHEM-ZINC00330440

 MMsINC code: MMs02656484
Type: Neutral
Formula: C8H11ClN2O2
SMILES:   ClC=1N(CCC)C(=O)N(C)C(=O)C=1
InChI:   InChI=1/C8H11ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h5H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=-15.9375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.641 g/mol  logS: -1.85009  SlogP: 1.4795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695988  Sterimol/B1: 2.44471  Sterimol/B2: 3.06891  Sterimol/B3: 3.06903
  Sterimol/B4: 5.53285  Sterimol/L: 11.2934 
 
 Surface and Volume Properties
  Accessible surface: 376.004  Positive charged surface: 227.46  Negative charged surface: 148.544  Volume: 178.25
  Hydrophobic surface: 276.391  Hydrophilic surface: 99.613
 
 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.