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NCID-ZINC04692607

 MMsINC code: MMs02394094
Type: Neutral
Formula: C6H13NO5
SMILES:   OC(C(O)C(O)C)C(O)C(=O)N
InChI:   InChI=1/C6H13NO5/c1-2(8)3(9)4(10)5(11)6(7)12/h2-5,8-11H,1H3,(H2,7,12)/t2-,3+,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=63.0057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.172 g/mol  logS: 0.61385  SlogP: -3.0648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116467  Sterimol/B1: 3.13733  Sterimol/B2: 3.31511  Sterimol/B3: 3.48035
  Sterimol/B4: 3.64698  Sterimol/L: 11.0763 
 
 Surface and Volume Properties
  Accessible surface: 344.603  Positive charged surface: 226.071  Negative charged surface: 118.532  Volume: 157.375
  Hydrophobic surface: 106.126  Hydrophilic surface: 238.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.