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NCID-ZINC01594775

 MMsINC code: MMs02249095
Type: Neutral
Formula: C6H8NO3P
SMILES:   P(O)(O)(=O)c1ccccc1N
InChI:   InChI=1/C6H8NO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-18.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.108 g/mol  logS: -0.46576  SlogP: -0.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679548  Sterimol/B1: 2.53478  Sterimol/B2: 3.63626  Sterimol/B3: 3.65443
  Sterimol/B4: 4.54155  Sterimol/L: 9.9883 
 
 Surface and Volume Properties
  Accessible surface: 332.614  Positive charged surface: 174.701  Negative charged surface: 157.913  Volume: 142.625
  Hydrophobic surface: 161.81  Hydrophilic surface: 170.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.