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PUBCHEM-ZINC05640878

 MMsINC code: MMs03332310
Type: Neutral
Formula: C8H10NO3P
SMILES:   P(=O)(C)(C)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C8H10NO3P/c1-13(2,12)8-5-3-4-7(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)=45.2009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.146 g/mol  logS: -1.71635  SlogP: 0.7726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129842  Sterimol/B1: 2.42222  Sterimol/B2: 3.54607  Sterimol/B3: 4.36691
  Sterimol/B4: 4.9891  Sterimol/L: 11.7184 
 
 Surface and Volume Properties
  Accessible surface: 381.592  Positive charged surface: 170.986  Negative charged surface: 210.607  Volume: 174
  Hydrophobic surface: 226.572  Hydrophilic surface: 155.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.