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MAYBRIDGE-ZINC00227556

 MMsINC code: MMs02147464
Type: Neutral
Formula: C10H17NO3
SMILES:   OC(=O)C1N(CCC1)C(=O)C(C)(C)C
InChI:   InChI=1/C10H17NO3/c1-10(2,3)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=64.924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -0.81801  SlogP: 1.1081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176445  Sterimol/B1: 3.05993  Sterimol/B2: 3.24153  Sterimol/B3: 3.7881
  Sterimol/B4: 5.45672  Sterimol/L: 10.752 
 
 Surface and Volume Properties
  Accessible surface: 392.077  Positive charged surface: 268.304  Negative charged surface: 123.773  Volume: 195.75
  Hydrophobic surface: 244.046  Hydrophilic surface: 148.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02147465
MAYBRIDGE-ZINC00227556