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CHEMBRIDGE-ZINC00273141

 MMsINC code: MMs00599739
Type: Neutral
Formula: C7H9ClNO2P
SMILES:   Clc1ccc(OP(=O)(N)C)cc1
InChI:   InChI=1/C7H9ClNO2P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3,(H2,9,10)/t12-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.4305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.581 g/mol  logS: -1.87911  SlogP: 1.4302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101444  Sterimol/B1: 2.26983  Sterimol/B2: 2.3798  Sterimol/B3: 3.67499
  Sterimol/B4: 5.22066  Sterimol/L: 12.2406 
 
 Surface and Volume Properties
  Accessible surface: 376.046  Positive charged surface: 178.768  Negative charged surface: 197.278  Volume: 170.875
  Hydrophobic surface: 249.792  Hydrophilic surface: 126.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.