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CHEMBLOCK-ZINC04593778

 MMsINC code: MMs00560187
Type: Ionized
Formula: C11H14N3O5-
SMILES:   O=C1NC(=O)NC(=C1)C(=O)NCCCCCC(=O)[O-]
InChI:   InChI=1/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)/p-1

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Potential Energy
Epot(MMFF94)=-27.3966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.249 g/mol  logS: -1.62794  SlogP: -1.8638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177577  Sterimol/B1: 2.39182  Sterimol/B2: 2.76428  Sterimol/B3: 3.00718
  Sterimol/B4: 5.75087  Sterimol/L: 17.9703 
 
 Surface and Volume Properties
  Accessible surface: 502.207  Positive charged surface: 298.359  Negative charged surface: 203.849  Volume: 233.375
  Hydrophobic surface: 201.191  Hydrophilic surface: 301.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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:


MMs00560186
CHEMBLOCK-ZINC04593778