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ACROSORGANICS-ZINC02579336

 MMsINC code: MMs00014768
Type: Neutral
Formula: C5H12NO3P
SMILES:   P(O)(O)(=O)C1(N)CCCC1
InChI:   InChI=1/C5H12NO3P/c6-5(10(7,8)9)3-1-2-4-5/h1-4,6H2,(H2,7,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.59297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.129 g/mol  logS: 0.37574  SlogP: -0.6771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280072  Sterimol/B1: 2.8488  Sterimol/B2: 3.20989  Sterimol/B3: 3.97953
  Sterimol/B4: 4.09297  Sterimol/L: 9.15263 
 
 Surface and Volume Properties
  Accessible surface: 323.691  Positive charged surface: 211.912  Negative charged surface: 111.779  Volume: 142.5
  Hydrophobic surface: 159.654  Hydrophilic surface: 164.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.