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NCID-ZINC01737261

 MMsINC code: MMs02358284
Type: Neutral
Formula: C10H24NO3P
SMILES:   P(OCCCCC)(OCCCCC)(=O)N
InChI:   InChI=1/C10H24NO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3,(H2,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-38.8643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.28 g/mol  logS: -2.81614  SlogP: 2.3966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256267  Sterimol/B1: 2.89015  Sterimol/B2: 3.11968  Sterimol/B3: 3.30723
  Sterimol/B4: 5.20078  Sterimol/L: 19.3289 
 
 Surface and Volume Properties
  Accessible surface: 541.565  Positive charged surface: 412.161  Negative charged surface: 129.404  Volume: 245.375
  Hydrophobic surface: 390.683  Hydrophilic surface: 150.882
 
 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.