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NCID-ZINC01674757

 MMsINC code: MMs02310223
Type: Neutral
Formula: C7H18NO3P
SMILES:   P(OCC)(OCC)(=O)NC(C)C
InChI:   InChI=1/C7H18NO3P/c1-5-10-12(9,11-6-2)8-7(3)4/h7H,5-6H2,1-4H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-35.2008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.199 g/mol  logS: -0.61751  SlogP: 1.0953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140498  Sterimol/B1: 2.49252  Sterimol/B2: 2.51073  Sterimol/B3: 4.33287
  Sterimol/B4: 6.56473  Sterimol/L: 12.2424 
 
 Surface and Volume Properties
  Accessible surface: 416.319  Positive charged surface: 286.511  Negative charged surface: 129.809  Volume: 194.375
  Hydrophobic surface: 273.104  Hydrophilic surface: 143.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.