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IBS-ZINC04816187

 MMsINC code: MMs01898237
Type: Ionized
Formula: C13H18N3O5-
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCCCCC(=O)[O-]
InChI:   InChI=1/C13H19N3O5/c1-15-11(19)9(12(20)16(2)13(15)21)8-14-7-5-3-4-6-10(17)18/h8,14H,3-7H2,1-2H3,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=-13.9958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.303 g/mol  logS: -1.10843  SlogP: -1.1794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133999  Sterimol/B1: 2.37492  Sterimol/B2: 2.38494  Sterimol/B3: 2.76956
  Sterimol/B4: 6.51838  Sterimol/L: 18.5392 
 
 Surface and Volume Properties
  Accessible surface: 546.322  Positive charged surface: 382.253  Negative charged surface: 164.069  Volume: 273.375
  Hydrophobic surface: 338.936  Hydrophilic surface: 207.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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:


MMs01898236
IBS-ZINC04816187