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NCID-ZINC01722694

 MMsINC code: MMs02347110
Type: Neutral
Formula: C10H19NO3
SMILES:   O1CCN(CC1)COC(=O)C(C)(C)C
InChI:   InChI=1/C10H19NO3/c1-10(2,3)9(12)14-8-11-4-6-13-7-5-11/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.6586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -0.50625  SlogP: 0.8654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163816  Sterimol/B1: 2.34779  Sterimol/B2: 3.04849  Sterimol/B3: 4.58032
  Sterimol/B4: 5.14446  Sterimol/L: 11.9816 
 
 Surface and Volume Properties
  Accessible surface: 424.14  Positive charged surface: 340.438  Negative charged surface: 83.7016  Volume: 207
  Hydrophobic surface: 327.113  Hydrophilic surface: 97.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.