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NCID-ZINC01712900

 MMsINC code: MMs02339604
Type: Neutral
Formula: C10H17NO4
SMILES:   OC(=O)C1(CCC(N)(C(O)=O)C1(C)C)C
InChI:   InChI=1/C10H17NO4/c1-8(2)9(3,6(12)13)4-5-10(8,11)7(14)15/h4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=78.1254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.38952  SlogP: 0.6794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.504594  Sterimol/B1: 1.969  Sterimol/B2: 3.31212  Sterimol/B3: 4.57631
  Sterimol/B4: 5.64294  Sterimol/L: 9.78935 
 
 Surface and Volume Properties
  Accessible surface: 377.329  Positive charged surface: 243.221  Negative charged surface: 134.108  Volume: 199
  Hydrophobic surface: 151.089  Hydrophilic surface: 226.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02339605
NCID-ZINC01712900