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NANOSIN-ZINC01687596

 MMsINC code: MMs02199081
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(OCC)(OCC)(=O)N
InChI:   InChI=1/C4H12NO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H2,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-38.9649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: -0.35172  SlogP: 0.056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822637  Sterimol/B1: 2.50835  Sterimol/B2: 2.56849  Sterimol/B3: 3.86413
  Sterimol/B4: 5.03017  Sterimol/L: 12.2445 
 
 Surface and Volume Properties
  Accessible surface: 358.96  Positive charged surface: 255.091  Negative charged surface: 103.868  Volume: 138.625
  Hydrophobic surface: 204.555  Hydrophilic surface: 154.405
 
 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.