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PUBCHEM-ZINC06126468

 MMsINC code: MMs03550317
Type: Neutral
Formula: C9H17NO3
SMILES:   O1CCCC1C(=O)NCCCOC
InChI:   InChI=1/C9H17NO3/c1-12-6-3-5-10-9(11)8-4-2-7-13-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.2097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.239 g/mol  logS: -0.80254  SlogP: 0.3181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379441  Sterimol/B1: 2.88839  Sterimol/B2: 2.93695  Sterimol/B3: 3.08598
  Sterimol/B4: 3.9814  Sterimol/L: 15.2586 
 
 Surface and Volume Properties
  Accessible surface: 430.294  Positive charged surface: 358.848  Negative charged surface: 71.4458  Volume: 193.25
  Hydrophobic surface: 362.151  Hydrophilic surface: 68.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.