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ASINEX-ZINC00326153

 MMsINC code: MMs00118997
Type: Neutral
Formula: C14H15ClNO3P
SMILES:   Clc1ccc(NP(Oc2ccccc2OC)(=O)C)cc1
InChI:   InChI=1/C14H15ClNO3P/c1-18-13-5-3-4-6-14(13)19-20(2,17)16-12-9-7-11(15)8-10-12/h3-10H,1-2H3,(H,16,17)/t20-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.1768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.705 g/mol  logS: -3.36472  SlogP: 3.5922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763953  Sterimol/B1: 2.52236  Sterimol/B2: 3.41415  Sterimol/B3: 3.9315
  Sterimol/B4: 7.44236  Sterimol/L: 15.8748 
 
 Surface and Volume Properties
  Accessible surface: 527.172  Positive charged surface: 285.151  Negative charged surface: 242.021  Volume: 273
  Hydrophobic surface: 450.469  Hydrophilic surface: 76.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.