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NCID-ZINC01561716

 MMsINC code: MMs02223839
Type: Neutral
Formula: C7H10NO3P
SMILES:   P(O)(O)(=O)c1cc(ccc1N)C
InChI:   InChI=1/C7H10NO3P/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-16.1431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.135 g/mol  logS: -0.93968  SlogP: -0.68998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060756  Sterimol/B1: 2.6025  Sterimol/B2: 3.28416  Sterimol/B3: 3.60785
  Sterimol/B4: 5.45956  Sterimol/L: 10.4823 
 
 Surface and Volume Properties
  Accessible surface: 360.432  Positive charged surface: 201.496  Negative charged surface: 158.936  Volume: 160.625
  Hydrophobic surface: 189.629  Hydrophilic surface: 170.803
 
 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.