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NCID-ZINC01570377

 MMsINC code: MMs02230733
Type: Neutral
Formula: C3H7ClN2O2
SMILES:   ClCC(N)C(=O)NO
InChI:   InChI=1/C3H7ClN2O2/c4-1-2(5)3(7)6-8/h2,8H,1,5H2,(H,6,7)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=51.433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.554 g/mol  logS: -0.12913  SlogP: -0.9421  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.150825  Sterimol/B1: 2.53519  Sterimol/B2: 2.54071  Sterimol/B3: 3.29426
  Sterimol/B4: 4.43988  Sterimol/L: 9.9163 
 
 Surface and Volume Properties
  Accessible surface: 295.897  Positive charged surface: 159.535  Negative charged surface: 136.362  Volume: 110.625
  Hydrophobic surface: 53.4621  Hydrophilic surface: 242.4349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.