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NCID-ZINC01713086

 MMsINC code: MMs02339676
Type: Neutral
Formula: C10H19O3P
SMILES:   P(OCC)(OCC)(=O)C=1CCC=1CC
InChI:   InChI=1/C10H19O3P/c1-4-9-7-8-10(9)14(11,12-5-2)13-6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.233 g/mol  logS: -1.28202  SlogP: 2.6402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219499  Sterimol/B1: 2.46801  Sterimol/B2: 4.30759  Sterimol/B3: 5.5406
  Sterimol/B4: 6.00824  Sterimol/L: 11.6433 
 
 Surface and Volume Properties
  Accessible surface: 474.269  Positive charged surface: 299.136  Negative charged surface: 98.861  Volume: 220.5
  Hydrophobic surface: 373.968  Hydrophilic surface: 100.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.