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PUBCHEM-ZINC05997807

 MMsINC code: MMs03481830
Type: Neutral
Formula: C10H21NO7
SMILES:   O(CCCNC(=O)C(O)C(O)C(O)C(O)CO)C
InChI:   InChI=1/C10H21NO7/c1-18-4-2-3-11-10(17)9(16)8(15)7(14)6(13)5-12/h6-9,12-16H,2-5H2,1H3,(H,11,17)/t6-,7-,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=81.6168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.278 g/mol  logS: 0.90518  SlogP: -3.425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377607  Sterimol/B1: 2.74448  Sterimol/B2: 2.96959  Sterimol/B3: 3.4933
  Sterimol/B4: 5.64781  Sterimol/L: 17.3076 
 
 Surface and Volume Properties
  Accessible surface: 514.32  Positive charged surface: 395.961  Negative charged surface: 118.359  Volume: 243.75
  Hydrophobic surface: 285.82  Hydrophilic surface: 228.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.