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ASINEX-ZINC00326092

 MMsINC code: MMs00118979
Type: Neutral
Formula: C14H14Cl2NO3P
SMILES:   Clc1cc(NP(Oc2ccccc2OC)(=O)C)ccc1Cl
InChI:   InChI=1/C14H14Cl2NO3P/c1-19-13-5-3-4-6-14(13)20-21(2,18)17-10-7-8-11(15)12(16)9-10/h3-9H,1-2H3,(H,17,18)/t21-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.15 g/mol  logS: -4.09901  SlogP: 4.2456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967161  Sterimol/B1: 2.5181  Sterimol/B2: 3.97133  Sterimol/B3: 4.55805
  Sterimol/B4: 7.45369  Sterimol/L: 15.8972 
 
 Surface and Volume Properties
  Accessible surface: 540.531  Positive charged surface: 265.556  Negative charged surface: 274.975  Volume: 290
  Hydrophobic surface: 468.064  Hydrophilic surface: 72.467
 
 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.