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PUBCHEM-ZINC01532438

 MMsINC code: MMs02813610
Type: Neutral
Formula: C10H17NO4
SMILES:   O1CC1C(=O)CCCCCC(N)C(O)=O
InChI:   InChI=1/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=31.9856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.90302  SlogP: 0.3167  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0418184  Sterimol/B1: 2.65857  Sterimol/B2: 2.69807  Sterimol/B3: 3.26536
  Sterimol/B4: 4.49379  Sterimol/L: 15.3281 
 
 Surface and Volume Properties
  Accessible surface: 461.777  Positive charged surface: 310.89  Negative charged surface: 150.887  Volume: 209.75
  Hydrophobic surface: 259.384  Hydrophilic surface: 202.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.