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NCID-ZINC01759523

 MMsINC code: MMs02366540
Type: Ionized
Formula: C6H10NO5-
SMILES:   OC(C([NH3+])C(=O)[O-])CCC(=O)[O-]
InChI:   InChI=1/C6H11NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h3,5,8H,1-2,7H2,(H,9,10)(H,11,12)/p-1/t3-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=7.85005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.148 g/mol  logS: 0.34876  SlogP: -4.7622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157939  Sterimol/B1: 2.61396  Sterimol/B2: 3.24996  Sterimol/B3: 3.73972
  Sterimol/B4: 4.10755  Sterimol/L: 11.9873 
 
 Surface and Volume Properties
  Accessible surface: 344.813  Positive charged surface: 193.907  Negative charged surface: 150.906  Volume: 147.125
  Hydrophobic surface: 79.3728  Hydrophilic surface: 265.4402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 1
  Chiral centers: 2
 
 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:


MMs02366539
NCID-ZINC01759523