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PUBCHEM-ZINC03872181

MMsINC code: MMs03081039

Type: Ionized
Formula: C10H11N2O4-
SMILES:   O=C([O-])C(NC(=O)NO)Cc1ccccc1
InChI:   InChI=1/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/p-1/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=35.1246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.208 g/mol  logS: -1.59937  SlogP: -0.96403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212977  Sterimol/B1: 3.23682  Sterimol/B2: 3.6302  Sterimol/B3: 5.2619
  Sterimol/B4: 5.29676  Sterimol/L: 11.2842 
 
 Surface and Volume Properties
  Accessible surface: 414.921  Positive charged surface: 217.501  Negative charged surface: 197.421  Volume: 200.5
  Hydrophobic surface: 211.323  Hydrophilic surface: 203.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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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MMs03081038
PUBCHEM-ZINC03872181