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PUBCHEM-ZINC02507817

 MMsINC code: MMs02890649
Type: Neutral
Formula: C10H17ClN2O4
SMILES:   ClCC(=O)NCC(=O)NC(CC(C)C)C(O)=O
InChI:   InChI=1/C10H17ClN2O4/c1-6(2)3-7(10(16)17)13-9(15)5-12-8(14)4-11/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=48.0675 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: 0.0905027  Sterimol/B1: 2.54503  Sterimol/B2: 2.56815  Sterimol/B3: 4.11792
  Sterimol/B4: 7.2637  Sterimol/L: 15.5327 
 
 Surface and Volume Properties
  Accessible surface: 500.987  Positive charged surface: 297.348  Negative charged surface: 203.64  Volume: 239.25
  Hydrophobic surface: 211.299  Hydrophilic surface: 289.688
 
 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


MMs02890650
PUBCHEM-ZINC02507817