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PUBCHEM-ZINC03872171

 MMsINC code: MMs03081036
Type: Neutral
Formula: C15H23NO4
SMILES:   O=C1C(CC(CC1C)C)C(O)CC1CC(=O)NC(=O)C1
InChI:   InChI=1/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=34.7096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.352 g/mol  logS: -1.893  SlogP: 1.0415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752487  Sterimol/B1: 2.17795  Sterimol/B2: 3.16051  Sterimol/B3: 3.70594
  Sterimol/B4: 6.72715  Sterimol/L: 14.1801 
 
 Surface and Volume Properties
  Accessible surface: 502.995  Positive charged surface: 325.09  Negative charged surface: 177.904  Volume: 271
  Hydrophobic surface: 278.711  Hydrophilic surface: 224.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.