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NANOSIN-ZINC00254561

 MMsINC code: MMs02191805
Type: Neutral
Formula: C15H25OP
SMILES:   P(=O)(C(C)(C)C)(C(C)(C)C)c1ccccc1C
InChI:   InChI=1/C15H25OP/c1-12-10-8-9-11-13(12)17(16,14(2,3)4)15(5,6)7/h8-11H,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.338 g/mol  logS: -3.04985  SlogP: 3.51022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317234  Sterimol/B1: 2.42195  Sterimol/B2: 3.46479  Sterimol/B3: 5.47586
  Sterimol/B4: 6.43642  Sterimol/L: 11.2825 
 
 Surface and Volume Properties
  Accessible surface: 448.25  Positive charged surface: 268.283  Negative charged surface: 179.967  Volume: 270.375
  Hydrophobic surface: 344.203  Hydrophilic surface: 104.047
 
 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.