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CHEMDIV-ZINC05058779

 MMsINC code: MMs00985960
Type: Neutral
Formula: C16H25NO4
SMILES:   O1C2(CCC(CC2)C)C(C(=O)NCCCOC)=C(C)C1=O
InChI:   InChI=1/C16H25NO4/c1-11-5-7-16(8-6-11)13(12(2)15(19)21-16)14(18)17-9-4-10-20-3/h11H,4-10H2,1-3H3,(H,17,18)/t11-,16-

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Potential Energy
Epot(MMFF94)=33.2356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.379 g/mol  logS: -3.18325  SlogP: 1.9613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818535  Sterimol/B1: 2.50247  Sterimol/B2: 3.62307  Sterimol/B3: 3.62525
  Sterimol/B4: 8.58488  Sterimol/L: 15.6754 
 
 Surface and Volume Properties
  Accessible surface: 542.828  Positive charged surface: 414.72  Negative charged surface: 128.107  Volume: 292.625
  Hydrophobic surface: 442.555  Hydrophilic surface: 100.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.