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SIAL-ZINC00391366

 MMsINC code: MMs03912040
Type: Neutral
Formula: C12H26NOPS
SMILES:   S=P(N1CCOCC1)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C12H26NOPS/c1-11(2,3)15(16,12(4,5)6)13-7-9-14-10-8-13/h7-10H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.386 g/mol  logS: -2.38315  SlogP: 3.3101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.309506  Sterimol/B1: 3.91163  Sterimol/B2: 4.20588  Sterimol/B3: 4.4536
  Sterimol/B4: 6.04692  Sterimol/L: 10.8476 
 
 Surface and Volume Properties
  Accessible surface: 433.076  Positive charged surface: 290.492  Negative charged surface: 142.584  Volume: 265.375
  Hydrophobic surface: 290.492  Hydrophilic surface: 142.584
 
 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.