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NCID-ZINC05083194

 MMsINC code: MMs02438271
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)=27.7502 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: 0.171941  Sterimol/B1: 2.48246  Sterimol/B2: 2.48256  Sterimol/B3: 4.12718
  Sterimol/B4: 7.74833  Sterimol/L: 10.6916 
 
 Surface and Volume Properties
  Accessible surface: 420.258  Positive charged surface: 334.673  Negative charged surface: 85.5854  Volume: 217.625
  Hydrophobic surface: 318.445  Hydrophilic surface: 101.813
 
 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


MMs02438272
NCID-ZINC05083194