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PUBCHEM-ZINC06019404

 MMsINC code: MMs03494780
Type: Neutral
Formula: C8H10NO4P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(=O)(C)C
InChI:   InChI=1/C8H10NO4P/c1-14(2,12)13-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.1012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.145 g/mol  logS: -1.84913  SlogP: 1.4411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676344  Sterimol/B1: 2.11991  Sterimol/B2: 2.44734  Sterimol/B3: 3.66629
  Sterimol/B4: 5.3776  Sterimol/L: 12.7474 
 
 Surface and Volume Properties
  Accessible surface: 396.09  Positive charged surface: 184.892  Negative charged surface: 211.198  Volume: 181
  Hydrophobic surface: 234.464  Hydrophilic surface: 161.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.