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NCID-ZINC01698370

 MMsINC code: MMs02328697
Type: Neutral
Formula: C4H8ClNO2
SMILES:   ClCCNC(OC)=O
InChI:   InChI=1/C4H8ClNO2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)

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Potential Energy
Epot(MMFF94)=-6.64525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.566 g/mol  logS: -0.60521  SlogP: 0.5812  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0455615  Sterimol/B1: 2.37509  Sterimol/B2: 2.37533  Sterimol/B3: 2.58922
  Sterimol/B4: 3.14538  Sterimol/L: 11.7979 
 
 Surface and Volume Properties
  Accessible surface: 313.632  Positive charged surface: 206.066  Negative charged surface: 107.566  Volume: 120.625
  Hydrophobic surface: 171.966  Hydrophilic surface: 141.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.