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NCID-ZINC05810757

 MMsINC code: MMs02500292
Type: Neutral
Formula: C15H25NO4
SMILES:   OC1CCC(CC1C(O)CC1CC(=O)N(C)C(=O)C1)C
InChI:   InChI=1/C15H25NO4/c1-9-3-4-12(17)11(5-9)13(18)6-10-7-14(19)16(2)15(20)8-10/h9-13,17-18H,3-8H2,1-2H3/t9-,11+,12+,13+/m0/s1

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Potential Energy
Epot(MMFF94)=50.1746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.368 g/mol  logS: -1.69105  SlogP: 0.9295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804407  Sterimol/B1: 2.36647  Sterimol/B2: 3.31666  Sterimol/B3: 3.58584
  Sterimol/B4: 6.06617  Sterimol/L: 15.2168 
 
 Surface and Volume Properties
  Accessible surface: 505.078  Positive charged surface: 375.529  Negative charged surface: 129.548  Volume: 277.25
  Hydrophobic surface: 345.997  Hydrophilic surface: 159.081
 
 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.