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NCID-ZINC01714987

 MMsINC code: MMs02340993
Type: Neutral
Formula: C14H29O3P
SMILES:   P(OCC)(OCC)(=O)C1CC(CCC1C)C(C)C
InChI:   InChI=1/C14H29O3P/c1-6-16-18(15,17-7-2)14-10-13(11(3)4)9-8-12(14)5/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.357 g/mol  logS: -3.48437  SlogP: 3.6431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873775  Sterimol/B1: 2.02261  Sterimol/B2: 3.2082  Sterimol/B3: 3.66614
  Sterimol/B4: 8.57268  Sterimol/L: 14.6564 
 
 Surface and Volume Properties
  Accessible surface: 536.767  Positive charged surface: 399.506  Negative charged surface: 137.261  Volume: 288
  Hydrophobic surface: 413.617  Hydrophilic surface: 123.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.