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NCID-ZINC04994676

 MMsINC code: MMs02425742
Type: Neutral
Formula: C9H17NO5
SMILES:   O1C(CO)C(N(C(=O)C)C)C(O)C1OC
InChI:   InChI=1/C9H17NO5/c1-5(12)10(2)7-6(4-11)15-9(14-3)8(7)13/h6-9,11,13H,4H2,1-3H3/t6-,7-,8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=82.5633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.237 g/mol  logS: 0.42575  SlogP: -1.4422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.342496  Sterimol/B1: 3.29199  Sterimol/B2: 4.43905  Sterimol/B3: 4.63225
  Sterimol/B4: 5.12317  Sterimol/L: 10.2693 
 
 Surface and Volume Properties
  Accessible surface: 416.692  Positive charged surface: 331.663  Negative charged surface: 85.0282  Volume: 202.625
  Hydrophobic surface: 280.257  Hydrophilic surface: 136.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.