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IBS-ZINC02227826

 MMsINC code: MMs01809231
Type: Neutral
Formula: C10H19NO4
SMILES:   O1CC(NCCCC(O)=O)C(O)(CC1)C
InChI:   InChI=1/C10H19NO4/c1-10(14)4-6-15-7-8(10)11-5-2-3-9(12)13/h8,11,14H,2-7H2,1H3,(H,12,13)/t8-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=30.2477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.05493  SlogP: -0.0193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753792  Sterimol/B1: 2.15763  Sterimol/B2: 2.66677  Sterimol/B3: 3.72104
  Sterimol/B4: 5.94929  Sterimol/L: 14.5553 
 
 Surface and Volume Properties
  Accessible surface: 438.211  Positive charged surface: 333.363  Negative charged surface: 104.848  Volume: 212.375
  Hydrophobic surface: 266.163  Hydrophilic surface: 172.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.