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MAYBRIDGE-ZINC00227560

 MMsINC code: MMs02147466
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-/m1/s1

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Potential Energy
Epot(MMFF94)=65.4763 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: 0.176734  Sterimol/B1: 3.08898  Sterimol/B2: 3.14012  Sterimol/B3: 3.75484
  Sterimol/B4: 5.41783  Sterimol/L: 10.656 
 
 Surface and Volume Properties
  Accessible surface: 391.862  Positive charged surface: 265.366  Negative charged surface: 126.496  Volume: 196.125
  Hydrophobic surface: 237.802  Hydrophilic surface: 154.06
 
 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


MMs02147467
MAYBRIDGE-ZINC00227560