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NCID-ZINC01683775

 MMsINC code: MMs02317334
Type: Neutral
Formula: C6H11ClN2O3
SMILES:   ClCCNC(=O)NC(C(O)=O)C
InChI:   InChI=1/C6H11ClN2O3/c1-4(5(10)11)9-6(12)8-3-2-7/h4H,2-3H2,1H3,(H,10,11)(H2,8,9,12)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.74774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.618 g/mol  logS: -0.69266  SlogP: -0.0025  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.060234  Sterimol/B1: 2.27006  Sterimol/B2: 2.51799  Sterimol/B3: 3.52516
  Sterimol/B4: 5.1066  Sterimol/L: 13.8868 
 
 Surface and Volume Properties
  Accessible surface: 395.96  Positive charged surface: 233.641  Negative charged surface: 162.319  Volume: 167.375
  Hydrophobic surface: 146.326  Hydrophilic surface: 249.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs02317335
NCID-ZINC01683775