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ENAMINE-ZINC03177099

 MMsINC code: MMs01296190
Type: Neutral
Formula: C12H10Cl2NO3P
SMILES:   Clc1ccccc1OP(Oc1ccccc1Cl)(=O)N
InChI:   InChI=1/C12H10Cl2NO3P/c13-9-5-1-3-7-11(9)17-19(15,16)18-12-8-4-2-6-10(12)14/h1-8H,(H2,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.1322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.096 g/mol  logS: -4.57004  SlogP: 3.4478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515941  Sterimol/B1: 2.29241  Sterimol/B2: 3.10772  Sterimol/B3: 4.04981
  Sterimol/B4: 6.13669  Sterimol/L: 14.4163 
 
 Surface and Volume Properties
  Accessible surface: 485.567  Positive charged surface: 195.657  Negative charged surface: 289.911  Volume: 256
  Hydrophobic surface: 412.205  Hydrophilic surface: 73.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.