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ASINEX-ZINC04018437

 MMsINC code: MMs00296882
Type: Neutral
Formula: C13H23NO5
SMILES:   OC(=O)C1CC(NC(=O)C(O)C(CO)(C)C)CCC1
InChI:   InChI=1/C13H23NO5/c1-13(2,7-15)10(16)11(17)14-9-5-3-4-8(6-9)12(18)19/h8-10,15-16H,3-7H2,1-2H3,(H,14,17)(H,18,19)/t8-,9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=48.4404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.329 g/mol  logS: -0.67158  SlogP: 0.1254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161505  Sterimol/B1: 2.52166  Sterimol/B2: 4.0647  Sterimol/B3: 4.95228
  Sterimol/B4: 5.03901  Sterimol/L: 12.1724 
 
 Surface and Volume Properties
  Accessible surface: 483.436  Positive charged surface: 334.211  Negative charged surface: 149.225  Volume: 259.125
  Hydrophobic surface: 263.308  Hydrophilic surface: 220.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00296883
ASINEX-ZINC04018437