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NCID-ZINC01612965

 MMsINC code: MMs02263167
Type: Neutral
Formula: C11H15OP
SMILES:   P1(=O)(CCCCC1)c1ccccc1
InChI:   InChI=1/C11H15OP/c12-13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.214 g/mol  logS: -1.68027  SlogP: 1.7887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126647  Sterimol/B1: 2.93661  Sterimol/B2: 3.33351  Sterimol/B3: 3.93256
  Sterimol/B4: 4.05972  Sterimol/L: 12.2659 
 
 Surface and Volume Properties
  Accessible surface: 396.331  Positive charged surface: 246.47  Negative charged surface: 149.861  Volume: 197.875
  Hydrophobic surface: 371.09  Hydrophilic surface: 25.241
 
 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.