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PUBCHEM-ZINC02168902

 MMsINC code: MMs02879605
Type: Neutral
Formula: C9H21OP
SMILES:   P(=O)(CCCC)(CCCC)C
InChI:   InChI=1/C9H21OP/c1-4-6-8-11(3,10)9-7-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.27998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.24 g/mol  logS: -1.19066  SlogP: 2.5093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546945  Sterimol/B1: 3.17625  Sterimol/B2: 3.19087  Sterimol/B3: 3.35619
  Sterimol/B4: 3.9948  Sterimol/L: 15.2099 
 
 Surface and Volume Properties
  Accessible surface: 435.444  Positive charged surface: 319.915  Negative charged surface: 115.53  Volume: 204.25
  Hydrophobic surface: 344.086  Hydrophilic surface: 91.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.