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PUBCHEM-ZINC01995956

 MMsINC code: MMs02839127
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(C(=O)c1ccc(N)cc1)C(CNCCC(C)C)C
InChI:   InChI=1/C15H24N2O2/c1-11(2)8-9-17-10-12(3)19-15(18)13-4-6-14(16)7-5-13/h4-7,11-12,17H,8-10,16H2,1-3H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=51.5902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -3.14106  SlogP: 2.4498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766081  Sterimol/B1: 2.54546  Sterimol/B2: 2.68996  Sterimol/B3: 4.43258
  Sterimol/B4: 8.3309  Sterimol/L: 15.7111 
 
 Surface and Volume Properties
  Accessible surface: 566.412  Positive charged surface: 396.222  Negative charged surface: 170.19  Volume: 284.625
  Hydrophobic surface: 406.364  Hydrophilic surface: 160.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02839128
PUBCHEM-ZINC01995956