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ACROSORGANICS-ZINC01707647

 MMsINC code: MMs00011493
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(O)(O)(=O)C(N)C(CC)C
InChI:   InChI=1/C5H14NO3P/c1-3-4(2)5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t4-,5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.2189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.26092  SlogP: -0.5752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249846  Sterimol/B1: 3.12488  Sterimol/B2: 3.54868  Sterimol/B3: 3.74097
  Sterimol/B4: 3.9076  Sterimol/L: 9.86744 
 
 Surface and Volume Properties
  Accessible surface: 331.833  Positive charged surface: 220.074  Negative charged surface: 111.759  Volume: 149
  Hydrophobic surface: 134.8  Hydrophilic surface: 197.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.