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PUBCHEM-ZINC01995115

 MMsINC code: MMs02838425
Type: Neutral
Formula: C6H7ClNO3P
SMILES:   Clc1ccc(NP(O)(O)=O)cc1
InChI:   InChI=1/C6H7ClNO3P/c7-5-1-3-6(4-2-5)8-12(9,10)11/h1-4H,(H3,8,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-50.753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.553 g/mol  logS: -1.17646  SlogP: 0.7744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726508  Sterimol/B1: 2.5614  Sterimol/B2: 3.00723  Sterimol/B3: 3.17922
  Sterimol/B4: 5.32302  Sterimol/L: 11.7347 
 
 Surface and Volume Properties
  Accessible surface: 358.441  Positive charged surface: 147.818  Negative charged surface: 210.622  Volume: 158.5
  Hydrophobic surface: 202.129  Hydrophilic surface: 156.312
 
 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.