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NCID-ZINC01675241

 MMsINC code: MMs02310593
Type: Neutral
Formula: C8H15NO3
SMILES:   O1CCN(CC1)C(OC(C)C)=O
InChI:   InChI=1/C8H15NO3/c1-7(2)12-8(10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.212 g/mol  logS: -0.67984  SlogP: 0.8636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112085  Sterimol/B1: 2.63866  Sterimol/B2: 2.75173  Sterimol/B3: 3.92752
  Sterimol/B4: 4.79323  Sterimol/L: 11.4631 
 
 Surface and Volume Properties
  Accessible surface: 385.016  Positive charged surface: 309.837  Negative charged surface: 75.1788  Volume: 173
  Hydrophobic surface: 300.532  Hydrophilic surface: 84.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.