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ACROSORGANICS-ZINC02384796

 MMsINC code: MMs00013498
Type: Ionized
Formula: C8H14NO4-
SMILES:   O=C([O-])C([NH3+])CCCCCC(=O)[O-]
InChI:   InChI=1/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=7.85054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.203 g/mol  logS: -0.77254  SlogP: -2.9528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524126  Sterimol/B1: 2.61333  Sterimol/B2: 3.11251  Sterimol/B3: 3.32284
  Sterimol/B4: 4.02318  Sterimol/L: 14.4319 
 
 Surface and Volume Properties
  Accessible surface: 398.127  Positive charged surface: 252.892  Negative charged surface: 145.235  Volume: 176.75
  Hydrophobic surface: 162.207  Hydrophilic surface: 235.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs00013497
ACROSORGANICS-ZINC02384796