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NCID-ZINC05083196

 MMsINC code: MMs02438273
Type: Neutral
Formula: C11H23NO2
SMILES:   OC(CC1NC(CCC1)CC(O)C)C
InChI:   InChI=1/C11H23NO2/c1-8(13)6-10-4-3-5-11(12-10)7-9(2)14/h8-14H,3-7H2,1-2H3/t8-,9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=23.8343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -0.76451  SlogP: 1.0389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194137  Sterimol/B1: 2.37086  Sterimol/B2: 2.5193  Sterimol/B3: 4.35648
  Sterimol/B4: 7.69531  Sterimol/L: 10.6143 
 
 Surface and Volume Properties
  Accessible surface: 426.621  Positive charged surface: 331.545  Negative charged surface: 95.0761  Volume: 218
  Hydrophobic surface: 299.87  Hydrophilic surface: 126.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02438274
NCID-ZINC05083196