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PUBCHEM-ZINC03161011

 MMsINC code: MMs03003395
Type: Neutral
Formula: C13H28NPS
SMILES:   S=P(NC1CCCCC1)(C(C)(C)C)C(C)C
InChI:   InChI=1/C13H28NPS/c1-11(2)15(16,13(3,4)5)14-12-9-7-6-8-10-12/h11-12H,6-10H2,1-5H3,(H,14,16)/t15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.1565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.414 g/mol  logS: -3.16002  SlogP: 4.5101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195277  Sterimol/B1: 2.18917  Sterimol/B2: 3.59277  Sterimol/B3: 4.38072
  Sterimol/B4: 6.10437  Sterimol/L: 12.6577 
 
 Surface and Volume Properties
  Accessible surface: 459.9  Positive charged surface: 313.328  Negative charged surface: 146.573  Volume: 277.75
  Hydrophobic surface: 342.436  Hydrophilic surface: 117.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.