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NCID-ZINC05350885

 MMsINC code: MMs02453893
Type: Neutral
Formula: C11H17NO7
SMILES:   O1C(C2OCN(C2C1OC(=O)C)C(=O)C)C(O)CO
InChI:   InChI=1/C11H17NO7/c1-5(14)12-4-17-10-8(12)11(18-6(2)15)19-9(10)7(16)3-13/h7-11,13,16H,3-4H2,1-2H3/t7-,8+,9-,10+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=76.8215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.257 g/mol  logS: 0.15588  SlogP: -1.799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1125  Sterimol/B1: 2.60375  Sterimol/B2: 3.57796  Sterimol/B3: 3.93581
  Sterimol/B4: 7.22411  Sterimol/L: 13.8839 
 
 Surface and Volume Properties
  Accessible surface: 487.978  Positive charged surface: 339.536  Negative charged surface: 148.442  Volume: 238.5
  Hydrophobic surface: 301.807  Hydrophilic surface: 186.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.