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AURORAFEINCHEMIE-ZINC01994636

 MMsINC code: MMs00449257
Type: Neutral
Formula: C15H25OP
SMILES:   P(=O)(Cc1ccccc1)(CCCC)CCCC
InChI:   InChI=1/C15H25OP/c1-3-5-12-17(16,13-6-4-2)14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.338 g/mol  logS: -2.95856  SlogP: 4.3461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924329  Sterimol/B1: 2.44469  Sterimol/B2: 2.99113  Sterimol/B3: 3.55483
  Sterimol/B4: 8.90388  Sterimol/L: 15.2359 
 
 Surface and Volume Properties
  Accessible surface: 532.553  Positive charged surface: 354.051  Negative charged surface: 178.503  Volume: 281.5
  Hydrophobic surface: 463.516  Hydrophilic surface: 69.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.