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NCID-ZINC01697667

 MMsINC code: MMs02328176
Type: Neutral
Formula: C9H20NO4P
SMILES:   P(OCC)(OC(=O)N(CC)CC)(=O)CC
InChI:   InChI=1/C9H20NO4P/c1-5-10(6-2)9(11)14-15(12,8-4)13-7-3/h5-8H2,1-4H3/t15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.4722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.236 g/mol  logS: -0.92098  SlogP: 1.6441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229352  Sterimol/B1: 2.98281  Sterimol/B2: 4.44283  Sterimol/B3: 5.21812
  Sterimol/B4: 5.5698  Sterimol/L: 11.3001 
 
 Surface and Volume Properties
  Accessible surface: 472.292  Positive charged surface: 335.896  Negative charged surface: 136.396  Volume: 231.25
  Hydrophobic surface: 338.969  Hydrophilic surface: 133.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.