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ENAMINE-ZINC03388367

 MMsINC code: MMs01412101
Type: Neutral
Formula: C9H19N2O2PS
SMILES:   S=P(N1CCOCC1)(N1CCOCC1)C
InChI:   InChI=1/C9H19N2O2PS/c1-14(15,10-2-6-12-7-3-10)11-4-8-13-9-5-11/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.303 g/mol  logS: -0.48424  SlogP: 0.5901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163718  Sterimol/B1: 2.13142  Sterimol/B2: 2.88927  Sterimol/B3: 5.20413
  Sterimol/B4: 6.61331  Sterimol/L: 12.3222 
 
 Surface and Volume Properties
  Accessible surface: 427.545  Positive charged surface: 335.846  Negative charged surface: 91.6983  Volume: 231.125
  Hydrophobic surface: 335.846  Hydrophilic surface: 91.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.