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ACROSORGANICS-ZINC01815573

 MMsINC code: MMs00011962
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(OCC)(OCC)(=O)CN
InChI:   InChI=1/C5H14NO3P/c1-3-8-10(7,5-6)9-4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.33734  SlogP: 0.0985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206086  Sterimol/B1: 2.56385  Sterimol/B2: 2.64094  Sterimol/B3: 4.43799
  Sterimol/B4: 7.10802  Sterimol/L: 10.3552 
 
 Surface and Volume Properties
  Accessible surface: 382.933  Positive charged surface: 284.928  Negative charged surface: 98.0052  Volume: 159.5
  Hydrophobic surface: 234.029  Hydrophilic surface: 148.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.