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NCID-ZINC01693571

 MMsINC code: MMs02325064
Type: Neutral
Formula: C8H19O3P
SMILES:   P(OCCCC)(OCCCC)O
InChI:   InChI=1/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.7676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -1.75864  SlogP: 2.839  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0302802  Sterimol/B1: 2.49346  Sterimol/B2: 2.57425  Sterimol/B3: 3.12175
  Sterimol/B4: 5.53943  Sterimol/L: 16.7824 
 
 Surface and Volume Properties
  Accessible surface: 469.101  Positive charged surface: 366.629  Negative charged surface: 102.472  Volume: 200.625
  Hydrophobic surface: 338.781  Hydrophilic surface: 130.32
 
 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.