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IBS-ZINC03881248

 MMsINC code: MMs01871194
Type: Neutral
Formula: C10H17NO5
SMILES:   O1CCN(CC1)C(CC(OC)=O)C(OC)=O
InChI:   InChI=1/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=76.7103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.47817  SlogP: -0.5767  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.206149  Sterimol/B1: 2.32656  Sterimol/B2: 2.70104  Sterimol/B3: 4.32135
  Sterimol/B4: 8.37543  Sterimol/L: 10.9033 
 
 Surface and Volume Properties
  Accessible surface: 437.176  Positive charged surface: 378.701  Negative charged surface: 58.4754  Volume: 214
  Hydrophobic surface: 380.575  Hydrophilic surface: 56.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs01871195
IBS-ZINC03881248