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PUBCHEM-ZINC02983041

 MMsINC code: MMs02974180
Type: Ionized
Formula: C10H11N2O5-
SMILES:   o1c(ccc1C)C(=O)NCC(=O)NCC(=O)[O-]
InChI:   InChI=1/C10H12N2O5/c1-6-2-3-7(17-6)10(16)12-4-8(13)11-5-9(14)15/h2-3H,4-5H2,1H3,(H,11,13)(H,12,16)(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=23.64 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.207 g/mol  logS: -2.02483  SlogP: -1.81608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116265  Sterimol/B1: 1.98403  Sterimol/B2: 2.37349  Sterimol/B3: 2.38777
  Sterimol/B4: 6.64722  Sterimol/L: 15.9101 
 
 Surface and Volume Properties
  Accessible surface: 469.279  Positive charged surface: 261.765  Negative charged surface: 207.514  Volume: 211.25
  Hydrophobic surface: 266.402  Hydrophilic surface: 202.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02974179
PUBCHEM-ZINC02983041