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PUBCHEM-ZINC05839085

 MMsINC code: MMs03409676
Type: Neutral
Formula: C10H24NO3P
SMILES:   P(OCC)(OCC)(=O)C(N(C)C)C(C)C
InChI:   InChI=1/C10H24NO3P/c1-7-13-15(12,14-8-2)10(9(3)4)11(5)6/h9-10H,7-8H2,1-6H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.2963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.28 g/mol  logS: -0.77517  SlogP: 1.726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.31283  Sterimol/B1: 2.1477  Sterimol/B2: 3.368  Sterimol/B3: 5.14638
  Sterimol/B4: 7.85893  Sterimol/L: 12.1222 
 
 Surface and Volume Properties
  Accessible surface: 467.289  Positive charged surface: 371.596  Negative charged surface: 95.6933  Volume: 242.875
  Hydrophobic surface: 371.014  Hydrophilic surface: 96.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.