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NCID-ZINC05554375

 MMsINC code: MMs02475148
Type: Neutral
Formula: C15H23NO7
SMILES:   O1CC(C)C(C)C1(O)C1OCOC(C1O)C1CC(=O)NC(=O)C1
InChI:   InChI=1/C15H23NO7/c1-7-5-23-15(20,8(7)2)14-12(19)13(21-6-22-14)9-3-10(17)16-11(18)4-9/h7-9,12-14,19-20H,3-6H2,1-2H3,(H,16,17,18)/t7-,8-,12-,13+,14+,15-/m1/s1

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Potential Energy
Epot(MMFF94)=79.0521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.349 g/mol  logS: -1.02849  SlogP: -0.8674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108419  Sterimol/B1: 2.46699  Sterimol/B2: 3.91264  Sterimol/B3: 5.36686
  Sterimol/B4: 5.73841  Sterimol/L: 15.1081 
 
 Surface and Volume Properties
  Accessible surface: 519.964  Positive charged surface: 377.315  Negative charged surface: 142.649  Volume: 289.25
  Hydrophobic surface: 277.09  Hydrophilic surface: 242.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.