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PUBCHEM-ZINC05309216

 MMsINC code: MMs03236604
Type: Neutral
Formula: C11H23NO7
SMILES:   OC(C(O)C(O)C(=O)NCCCC)C(O)C(O)CO
InChI:   InChI=1/C11H23NO7/c1-2-3-4-12-11(19)10(18)9(17)8(16)7(15)6(14)5-13/h6-10,13-18H,2-5H2,1H3,(H,12,19)/t6-,7-,8-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=84.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.305 g/mol  logS: 0.40793  SlogP: -3.3005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546832  Sterimol/B1: 2.30062  Sterimol/B2: 3.5142  Sterimol/B3: 3.53753
  Sterimol/B4: 6.82887  Sterimol/L: 17.3414 
 
 Surface and Volume Properties
  Accessible surface: 529.053  Positive charged surface: 380.964  Negative charged surface: 148.089  Volume: 260.125
  Hydrophobic surface: 253.868  Hydrophilic surface: 275.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.