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PUBCHEM-ZINC06031269

 MMsINC code: MMs03503816
Type: Neutral
Formula: C11H21NO3
SMILES:   O1CC(N(CC(C(OC)=O)C)C(C1)C)C
InChI:   InChI=1/C11H21NO3/c1-8(11(13)14-4)5-12-9(2)6-15-7-10(12)3/h8-10H,5-7H2,1-4H3/t8-,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=66.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -0.92619  SlogP: 0.9047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130465  Sterimol/B1: 2.49999  Sterimol/B2: 3.20005  Sterimol/B3: 3.72881
  Sterimol/B4: 6.94246  Sterimol/L: 13.0353 
 
 Surface and Volume Properties
  Accessible surface: 434.449  Positive charged surface: 342.177  Negative charged surface: 92.2725  Volume: 224.625
  Hydrophobic surface: 336.615  Hydrophilic surface: 97.834
 
 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


MMs03503817
PUBCHEM-ZINC06031269