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IBS-ZINC02213046

 MMsINC code: MMs01804642
Type: Neutral
Formula: C10H17NO5
SMILES:   O1CCN(CC1)C(CC(O)=O)C(OCC)=O
InChI:   InChI=1/C10H17NO5/c1-2-16-10(14)8(7-9(12)13)11-3-5-15-6-4-11/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=68.6436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.39305  SlogP: -0.275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15661  Sterimol/B1: 3.63417  Sterimol/B2: 3.91544  Sterimol/B3: 3.9233
  Sterimol/B4: 6.34385  Sterimol/L: 12.1331 
 
 Surface and Volume Properties
  Accessible surface: 438.277  Positive charged surface: 340.729  Negative charged surface: 97.548  Volume: 212.375
  Hydrophobic surface: 295.822  Hydrophilic surface: 142.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.