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PEAKDALE-ZINC04229006

 MMsINC code: MMs02615797
Type: Neutral
Formula: C16H25NO4
SMILES:   O=C1N(C(CC(C)C)C(OC)=O)C(=O)CC2(C1)CCCC2
InChI:   InChI=1/C16H25NO4/c1-11(2)8-12(15(20)21-3)17-13(18)9-16(10-14(17)19)6-4-5-7-16/h11-12H,4-10H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=57.0803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.379 g/mol  logS: -4.08531  SlogP: 2.2835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159589  Sterimol/B1: 2.36324  Sterimol/B2: 2.43501  Sterimol/B3: 5.41475
  Sterimol/B4: 8.00037  Sterimol/L: 14.4557 
 
 Surface and Volume Properties
  Accessible surface: 517.383  Positive charged surface: 378.05  Negative charged surface: 139.333  Volume: 293.5
  Hydrophobic surface: 408.677  Hydrophilic surface: 108.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.