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NCID-ZINC01721206

 MMsINC code: MMs02346059
Type: Neutral
Formula: C7H13NO3
SMILES:   OC(=O)C(CC)(CC)C(=O)N
InChI:   InChI=1/C7H13NO3/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H2,8,9)(H,10,11)

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Potential Energy
Epot(MMFF94)=16.5753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -1.18084  SlogP: 0.3627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.361481  Sterimol/B1: 3.05893  Sterimol/B2: 3.89992  Sterimol/B3: 4.48109
  Sterimol/B4: 4.57345  Sterimol/L: 9.748 
 
 Surface and Volume Properties
  Accessible surface: 333.468  Positive charged surface: 214.204  Negative charged surface: 119.264  Volume: 150.125
  Hydrophobic surface: 147.25  Hydrophilic surface: 186.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02346060
NCID-ZINC01721206