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NCID-ZINC04777855

 MMsINC code: MMs02405066
Type: Neutral
Formula: C7H11ClN2O3
SMILES:   ClC1(C)C(OCC)NC(=O)NC1=O
InChI:   InChI=1/C7H11ClN2O3/c1-3-13-5-7(2,8)4(11)9-6(12)10-5/h5H,3H2,1-2H3,(H2,9,10,11,12)/t5-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.8024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.629 g/mol  logS: -1.58355  SlogP: 0.6058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23349  Sterimol/B1: 3.58324  Sterimol/B2: 3.83022  Sterimol/B3: 4.19019
  Sterimol/B4: 4.75209  Sterimol/L: 10.6407 
 
 Surface and Volume Properties
  Accessible surface: 378.219  Positive charged surface: 215.934  Negative charged surface: 162.285  Volume: 171.75
  Hydrophobic surface: 152.143  Hydrophilic surface: 226.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.