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ASINEX-ZINC00298886

 MMsINC code: MMs00112905
Type: Neutral
Formula: C15H25NO3
SMILES:   o1c(C(C)(C)C)c(CN(CC)CC)c(C(O)=O)c1C
InChI:   InChI=1/C15H25NO3/c1-7-16(8-2)9-11-12(14(17)18)10(3)19-13(11)15(4,5)6/h7-9H2,1-6H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=60.8933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.71089  SlogP: 3.69192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258145  Sterimol/B1: 3.33137  Sterimol/B2: 4.69487  Sterimol/B3: 5.29765
  Sterimol/B4: 6.04372  Sterimol/L: 12.4409 
 
 Surface and Volume Properties
  Accessible surface: 494.944  Positive charged surface: 329.688  Negative charged surface: 165.257  Volume: 281.25
  Hydrophobic surface: 329.835  Hydrophilic surface: 165.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.