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NCID-ZINC05808253

 MMsINC code: MMs02498297
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)CC(O)(C)C1NCCC1)CC
InChI:   InChI=1/C10H19NO3/c1-3-14-9(12)7-10(2,13)8-5-4-6-11-8/h8,11,13H,3-7H2,1-2H3/t8-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=41.8766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -0.65183  SlogP: 0.4426  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0664419  Sterimol/B1: 2.76371  Sterimol/B2: 2.82669  Sterimol/B3: 3.50886
  Sterimol/B4: 4.94646  Sterimol/L: 14.2387 
 
 Surface and Volume Properties
  Accessible surface: 430.378  Positive charged surface: 330.221  Negative charged surface: 100.157  Volume: 205.25
  Hydrophobic surface: 316.189  Hydrophilic surface: 114.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02498298
NCID-ZINC05808253