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CHEMBRIDGE-ZINC02833040

 MMsINC code: MMs00722268
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)CC(CC(=O)NC(C)(C)C)C
InChI:   InChI=1/C10H19NO3/c1-7(6-9(13)14)5-8(12)11-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=28.1025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.22141  SlogP: 1.402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932868  Sterimol/B1: 2.10533  Sterimol/B2: 2.55624  Sterimol/B3: 4.16419
  Sterimol/B4: 4.65747  Sterimol/L: 14.2373 
 
 Surface and Volume Properties
  Accessible surface: 432.196  Positive charged surface: 301.239  Negative charged surface: 130.957  Volume: 209
  Hydrophobic surface: 244.316  Hydrophilic surface: 187.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00722269
CHEMBRIDGE-ZINC02833040