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PUBCHEM-ZINC06403454

 MMsINC code: MMs03708053
Type: Neutral
Formula: C5H10ClNO2
SMILES:   ClCC(N)C(OCC)=O
InChI:   InChI=1/C5H10ClNO2/c1-2-9-5(8)4(7)3-6/h4H,2-3,7H2,1H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.593 g/mol  logS: -0.78256  SlogP: 0.1156  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0943868  Sterimol/B1: 2.75268  Sterimol/B2: 3.10386  Sterimol/B3: 3.41249
  Sterimol/B4: 3.61316  Sterimol/L: 11.3688 
 
 Surface and Volume Properties
  Accessible surface: 343.858  Positive charged surface: 214.648  Negative charged surface: 129.21  Volume: 137
  Hydrophobic surface: 164.234  Hydrophilic surface: 179.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.