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NCID-ZINC01767433

 MMsINC code: MMs02370179
Type: Neutral
Formula: C12H25PS
SMILES:   S=P(C)(C)C1CCC(CC1)C(C)(C)C
InChI:   InChI=1/C12H25PS/c1-12(2,3)10-6-8-11(9-7-10)13(4,5)14/h10-11H,6-9H2,1-5H3/t10-,11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=193.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.372 g/mol  logS: -3.88756  SlogP: 4.3304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252481  Sterimol/B1: 2.32819  Sterimol/B2: 3.86145  Sterimol/B3: 3.86341
  Sterimol/B4: 5.66049  Sterimol/L: 11.2527 
 
 Surface and Volume Properties
  Accessible surface: 425.44  Positive charged surface: 296.098  Negative charged surface: 129.342  Volume: 244.875
  Hydrophobic surface: 318.047  Hydrophilic surface: 107.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.