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PUBCHEM-ZINC03652240

 MMsINC code: MMs03034399
Type: Ionized
Formula: C6H10NO4-
SMILES:   O=C([O-])C(CCC(=O)[O-])C[NH3+]
InChI:   InChI=1/C6H11NO4/c7-3-4(6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.97194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: 0.38974  SlogP: -3.8755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140531  Sterimol/B1: 2.88027  Sterimol/B2: 3.15404  Sterimol/B3: 3.3535
  Sterimol/B4: 4.82997  Sterimol/L: 10.4815 
 
 Surface and Volume Properties
  Accessible surface: 334.975  Positive charged surface: 195.522  Negative charged surface: 139.452  Volume: 143.375
  Hydrophobic surface: 90.8029  Hydrophilic surface: 244.1721
 
 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:


MMs03034398
PUBCHEM-ZINC03652240