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NCID-ZINC01664589

 MMsINC code: MMs02300824
Type: Neutral
Formula: C6H10ClNO4
SMILES:   ClCCNC(CC(O)=O)C(O)=O
InChI:   InChI=1/C6H10ClNO4/c7-1-2-8-4(6(11)12)3-5(9)10/h4,8H,1-3H2,(H,9,10)(H,11,12)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=19.0966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.602 g/mol  logS: 0.00364  SlogP: -0.2573  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.1075  Sterimol/B1: 2.45043  Sterimol/B2: 3.23024  Sterimol/B3: 4.41114
  Sterimol/B4: 5.12239  Sterimol/L: 11.292 
 
 Surface and Volume Properties
  Accessible surface: 378.266  Positive charged surface: 209.669  Negative charged surface: 168.597  Volume: 161.5
  Hydrophobic surface: 117.468  Hydrophilic surface: 260.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02300825
NCID-ZINC01664589