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NCID-ZINC01692987

 MMsINC code: MMs02324587
Type: Neutral
Formula: C10H11N3O4
SMILES:   OC(=O)CCC(=O)NNC(=O)c1cccnc1
InChI:   InChI=1/C10H11N3O4/c14-8(3-4-9(15)16)12-13-10(17)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,12,14)(H,13,17)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.7759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.215 g/mol  logS: -0.31704  SlogP: -0.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0066079  Sterimol/B1: 2.37483  Sterimol/B2: 2.37596  Sterimol/B3: 3.40571
  Sterimol/B4: 3.97661  Sterimol/L: 16.7648 
 
 Surface and Volume Properties
  Accessible surface: 448.509  Positive charged surface: 285.626  Negative charged surface: 162.883  Volume: 208.5
  Hydrophobic surface: 237.241  Hydrophilic surface: 211.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02324588
NCID-ZINC01692987