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PUBCHEM-ZINC06116562

 MMsINC code: MMs03545539
Type: Neutral
Formula: C13H10Cl2NO4P
SMILES:   ClC(Cl)P(Oc1ccc([N+](=O)[O-])cc1)(=O)c1ccccc1
InChI:   InChI=1/C13H10Cl2NO4P/c14-13(15)21(19,12-4-2-1-3-5-12)20-11-8-6-10(7-9-11)16(17)18/h1-9,13H/t21-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.18 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.106 g/mol  logS: -4.64004  SlogP: 3.6881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873156  Sterimol/B1: 3.29006  Sterimol/B2: 3.58313  Sterimol/B3: 4.39501
  Sterimol/B4: 5.2057  Sterimol/L: 15.8489 
 
 Surface and Volume Properties
  Accessible surface: 500.121  Positive charged surface: 180.485  Negative charged surface: 319.636  Volume: 270.875
  Hydrophobic surface: 308.395  Hydrophilic surface: 191.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.