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CHEMBRIDGE-ZINC00270903

 MMsINC code: MMs00599259
Type: Neutral
Formula: C7H18NO2PS
SMILES:   S=P(OCC)(OCC)NC(C)C
InChI:   InChI=1/C7H18NO2PS/c1-5-9-11(12,10-6-2)8-7(3)4/h7H,5-6H2,1-4H3,(H,8,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-24.6691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.266 g/mol  logS: -1.87079  SlogP: 2.2819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140715  Sterimol/B1: 2.92057  Sterimol/B2: 3.70246  Sterimol/B3: 5.16831
  Sterimol/B4: 7.19183  Sterimol/L: 11.3612 
 
 Surface and Volume Properties
  Accessible surface: 444.763  Positive charged surface: 299.694  Negative charged surface: 145.07  Volume: 207.625
  Hydrophobic surface: 291.715  Hydrophilic surface: 153.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.