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NCID-ZINC05539187

 MMsINC code: MMs02471146
Type: Neutral
Formula: C10H17NO6
SMILES:   O=C1NC(=O)CC(C1)CC(O)C(O)C(O)CO
InChI:   InChI=1/C10H17NO6/c12-4-7(14)10(17)6(13)1-5-2-8(15)11-9(16)3-5/h5-7,10,12-14,17H,1-4H2,(H,11,15,16)/t6-,7+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=54.8972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.247 g/mol  logS: 0.46896  SlogP: -2.4957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746059  Sterimol/B1: 2.49328  Sterimol/B2: 2.65422  Sterimol/B3: 3.75681
  Sterimol/B4: 5.63697  Sterimol/L: 14.5853 
 
 Surface and Volume Properties
  Accessible surface: 442.513  Positive charged surface: 291.998  Negative charged surface: 150.515  Volume: 217.5
  Hydrophobic surface: 176.483  Hydrophilic surface: 266.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.