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PUBCHEM-ZINC04533059

 MMsINC code: MMs03130547
Type: Neutral
Formula: C10H21NO7
SMILES:   OC(C(O)C(O)C(=O)NCCC)C(O)C(O)CO
InChI:   InChI=1/C10H21NO7/c1-2-3-11-10(18)9(17)8(16)7(15)6(14)5(13)4-12/h5-9,12-17H,2-4H2,1H3,(H,11,18)/t5-,6-,7-,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=84.7471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.278 g/mol  logS: 0.92315  SlogP: -3.6906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649751  Sterimol/B1: 2.47314  Sterimol/B2: 3.22282  Sterimol/B3: 3.82211
  Sterimol/B4: 6.10372  Sterimol/L: 16.3679 
 
 Surface and Volume Properties
  Accessible surface: 492.17  Positive charged surface: 350.679  Negative charged surface: 141.491  Volume: 240.875
  Hydrophobic surface: 223.587  Hydrophilic surface: 268.583
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.