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ENAMINE-ZINC04219104

 MMsINC code: MMs01536202
Type: Neutral
Formula: C10H16ClNO3
SMILES:   ClCC(=O)N1CCCCC1C(OCC)=O
InChI:   InChI=1/C10H16ClNO3/c1-2-15-10(14)8-5-3-4-6-12(8)9(13)7-11/h8H,2-7H2,1H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=68.4746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.695 g/mol  logS: -1.91193  SlogP: 1.1694  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.094096  Sterimol/B1: 2.73488  Sterimol/B2: 3.83151  Sterimol/B3: 4.14121
  Sterimol/B4: 6.60512  Sterimol/L: 12.6718 
 
 Surface and Volume Properties
  Accessible surface: 445.976  Positive charged surface: 298.607  Negative charged surface: 147.369  Volume: 213.625
  Hydrophobic surface: 308.564  Hydrophilic surface: 137.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.