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IBS-ZINC05151807

 MMsINC code: MMs01924883
Type: Ionized
Formula: C11H13N4O6-
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCC(=O)NCC(=O)[O-]
InChI:   InChI=1/C11H14N4O6/c1-14-9(19)6(10(20)15(2)11(14)21)3-12-4-7(16)13-5-8(17)18/h3,12H,4-5H2,1-2H3,(H,13,16)(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=12.9077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.247 g/mol  logS: -0.79377  SlogP: -3.6236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105045  Sterimol/B1: 2.37331  Sterimol/B2: 2.37974  Sterimol/B3: 2.57455
  Sterimol/B4: 6.7153  Sterimol/L: 17.1244 
 
 Surface and Volume Properties
  Accessible surface: 521.857  Positive charged surface: 341.696  Negative charged surface: 180.161  Volume: 252.25
  Hydrophobic surface: 262.417  Hydrophilic surface: 259.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0
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MMs01924882
IBS-ZINC05151807