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PUBCHEM-ZINC02036571

 MMsINC code: MMs02861348
Type: Neutral
Formula: C8H15ClN2O2
SMILES:   ClCC(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C8H15ClN2O2/c1-5(2)3-6(8(10)13)11-7(12)4-9/h5-6H,3-4H2,1-2H3,(H2,10,13)(H,11,12)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=38.5998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.673 g/mol  logS: -2.36637  SlogP: 0.2414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.2049  Sterimol/B1: 2.00086  Sterimol/B2: 3.04356  Sterimol/B3: 4.79576
  Sterimol/B4: 6.30381  Sterimol/L: 11.8795 
 
 Surface and Volume Properties
  Accessible surface: 416.113  Positive charged surface: 243.343  Negative charged surface: 172.77  Volume: 194.375
  Hydrophobic surface: 172.414  Hydrophilic surface: 243.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.