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NANOSIN-ZINC02025539

 MMsINC code: MMs02201585
Type: Neutral
Formula: C4H11O3P
SMILES:   P(O)(O)(=O)CC(C)C
InChI:   InChI=1/C4H11O3P/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-38.7195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: 0.34823  SlogP: -0.2501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163426  Sterimol/B1: 1.97507  Sterimol/B2: 2.98856  Sterimol/B3: 3.52589
  Sterimol/B4: 4.73155  Sterimol/L: 9.74814 
 
 Surface and Volume Properties
  Accessible surface: 306.635  Positive charged surface: 188.063  Negative charged surface: 118.572  Volume: 123
  Hydrophobic surface: 136.626  Hydrophilic surface: 170.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.