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NCID-ZINC05217828

 MMsINC code: MMs02450102
Type: Neutral
Formula: C14H23NO3
SMILES:   O=C1CC2N(C(C(C)(C)C2(C)C)C1C(OC)=O)C
InChI:   InChI=1/C14H23NO3/c1-13(2)9-7-8(16)10(12(17)18-6)11(15(9)5)14(13,3)4/h9-11H,7H2,1-6H3/t9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=180.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -1.37465  SlogP: 1.4834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.374968  Sterimol/B1: 2.51315  Sterimol/B2: 3.07363  Sterimol/B3: 5.43752
  Sterimol/B4: 5.51153  Sterimol/L: 11.4634 
 
 Surface and Volume Properties
  Accessible surface: 426.301  Positive charged surface: 321.9  Negative charged surface: 104.401  Volume: 245.875
  Hydrophobic surface: 318.983  Hydrophilic surface: 107.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.