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NCID-ZINC05409587

 MMsINC code: MMs02459682
Type: Neutral
Formula: C9H19NO5
SMILES:   O(C(C(N)C=O)C(OC)C(O)COC)C
InChI:   InChI=1/C9H19NO5/c1-13-5-7(12)9(15-3)8(14-2)6(10)4-11/h4,6-9,12H,5,10H2,1-3H3/t6-,7+,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=86.9154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.253 g/mol  logS: 0.46017  SlogP: -1.4501  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.11095  Sterimol/B1: 2.69574  Sterimol/B2: 3.92028  Sterimol/B3: 4.27157
  Sterimol/B4: 4.93469  Sterimol/L: 13.3036 
 
 Surface and Volume Properties
  Accessible surface: 435.446  Positive charged surface: 374.41  Negative charged surface: 61.0362  Volume: 215.25
  Hydrophobic surface: 292.804  Hydrophilic surface: 142.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.