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NCID-ZINC01686349

 MMsINC code: MMs02319268
Type: Neutral
Formula: C8H15NO3
SMILES:   OC(=O)CCC(=O)NCCCC
InChI:   InChI=1/C8H15NO3/c1-2-3-6-9-7(10)4-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=-10.1586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.212 g/mol  logS: -0.56699  SlogP: 0.7675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259212  Sterimol/B1: 2.37502  Sterimol/B2: 2.37585  Sterimol/B3: 2.84763
  Sterimol/B4: 3.78274  Sterimol/L: 15.5631 
 
 Surface and Volume Properties
  Accessible surface: 408.692  Positive charged surface: 298.269  Negative charged surface: 110.423  Volume: 174.875
  Hydrophobic surface: 237.368  Hydrophilic surface: 171.324
 
 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


MMs02319269
NCID-ZINC01686349