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PUBCHEM-ZINC05113004

MMsINC code: MMs03201412

Type: Ionized
Formula: C6H10NO4-
SMILES:   O=C([O-])C(NO)CCCC=O
InChI:   InChI=1/C6H11NO4/c8-4-2-1-3-5(7-11)6(9)10/h4-5,7,11H,1-3H2,(H,9,10)/p-1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=30.9233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: 0.34041  SlogP: -1.5471  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135698  Sterimol/B1: 2.80053  Sterimol/B2: 3.3484  Sterimol/B3: 3.46133
  Sterimol/B4: 3.94467  Sterimol/L: 11.2111 
 
 Surface and Volume Properties
  Accessible surface: 339.832  Positive charged surface: 185.821  Negative charged surface: 154.01  Volume: 143.5
  Hydrophobic surface: 128.945  Hydrophilic surface: 210.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs03201411
PUBCHEM-ZINC05113004