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MAYBRIDGE-ZINC00153334

 MMsINC code: MMs02142370
Type: Ionized
Formula: C10H15N2O5-
SMILES:   O=C1NCCCCC1NC(=O)COCC(=O)[O-]
InChI:   InChI=1/C10H16N2O5/c13-8(5-17-6-9(14)15)12-7-3-1-2-4-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=51.5855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.239 g/mol  logS: -1.08876  SlogP: -2.4622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223236  Sterimol/B1: 2.65662  Sterimol/B2: 3.29197  Sterimol/B3: 5.11787
  Sterimol/B4: 6.18126  Sterimol/L: 11.0084 
 
 Surface and Volume Properties
  Accessible surface: 435.589  Positive charged surface: 290.034  Negative charged surface: 145.555  Volume: 217.375
  Hydrophobic surface: 244.568  Hydrophilic surface: 191.021
 
 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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Parent related molecule:


MMs02142369
MAYBRIDGE-ZINC00153334