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ENAMINE-ZINC03491486

 MMsINC code: MMs01471562
Type: Neutral
Formula: C7H13NO3
SMILES:   OC(=O)CNC(=O)C(C)(C)C
InChI:   InChI=1/C7H13NO3/c1-7(2,3)6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.5528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -0.37162  SlogP: 0.2333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145734  Sterimol/B1: 2.6772  Sterimol/B2: 3.62365  Sterimol/B3: 3.62466
  Sterimol/B4: 4.19044  Sterimol/L: 11.7367 
 
 Surface and Volume Properties
  Accessible surface: 358.655  Positive charged surface: 232.432  Negative charged surface: 126.223  Volume: 157.25
  Hydrophobic surface: 169.916  Hydrophilic surface: 188.739
 
 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


MMs01471563
ENAMINE-ZINC03491486