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PUBCHEM-ZINC05113598

 MMsINC code: MMs03201807
Type: Neutral
Formula: C2H5Cl2NO
SMILES:   ClN(Cl)CCO
InChI:   InChI=1/C2H5Cl2NO/c3-5(4)1-2-6/h6H,1-2H2

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Potential Energy
Epot(MMFF94)=15.5592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.974 g/mol  logS: -0.62178  SlogP: 0.5883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15311  Sterimol/B1: 2.47752  Sterimol/B2: 2.56409  Sterimol/B3: 2.97092
  Sterimol/B4: 4.63184  Sterimol/L: 8.71054 
 
 Surface and Volume Properties
  Accessible surface: 266.471  Positive charged surface: 126.723  Negative charged surface: 139.749  Volume: 96.75
  Hydrophobic surface: 224.49  Hydrophilic surface: 41.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.