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NCID-ZINC01756216

 MMsINC code: MMs02364739
Type: Neutral
Formula: C12H25OP
SMILES:   P(=O)(CCC)(CCC)C1CCCCC1
InChI:   InChI=1/C12H25OP/c1-3-10-14(13,11-4-2)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.5189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.305 g/mol  logS: -1.63136  SlogP: 3.432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125081  Sterimol/B1: 2.46164  Sterimol/B2: 3.03036  Sterimol/B3: 4.19937
  Sterimol/B4: 7.94278  Sterimol/L: 12.7797 
 
 Surface and Volume Properties
  Accessible surface: 457.73  Positive charged surface: 339.418  Negative charged surface: 118.312  Volume: 242.375
  Hydrophobic surface: 389.587  Hydrophilic surface: 68.143
 
 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.