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PUBCHEM-ZINC02164044

 MMsINC code: MMs02878283
Type: Neutral
Formula: C10H17ClN2O4
SMILES:   ClCC(=O)NC(CC(C)C)C(=O)NCC(O)=O
InChI:   InChI=1/C10H17ClN2O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=51.2116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.709 g/mol  logS: -2.25622  SlogP: -0.0431  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13285  Sterimol/B1: 2.05782  Sterimol/B2: 3.07442  Sterimol/B3: 4.83366
  Sterimol/B4: 6.44757  Sterimol/L: 14.9667 
 
 Surface and Volume Properties
  Accessible surface: 491.485  Positive charged surface: 291.675  Negative charged surface: 199.81  Volume: 237.375
  Hydrophobic surface: 208.425  Hydrophilic surface: 283.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02878284
PUBCHEM-ZINC02164044