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NCID-ZINC01756224

 MMsINC code: MMs02364744
Type: Neutral
Formula: C17H35OP
SMILES:   P(=O)(CCCCCC)(CCCCCC)C1CCCC1
InChI:   InChI=1/C17H35OP/c1-3-5-7-11-15-19(18,16-12-8-6-4-2)17-13-9-10-14-17/h17H,3-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=11.1605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.44 g/mol  logS: -4.20746  SlogP: 5.3825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584912  Sterimol/B1: 2.53004  Sterimol/B2: 3.42433  Sterimol/B3: 3.77038
  Sterimol/B4: 9.87977  Sterimol/L: 17.9522 
 
 Surface and Volume Properties
  Accessible surface: 628.696  Positive charged surface: 492.027  Negative charged surface: 136.669  Volume: 332.375
  Hydrophobic surface: 559.989  Hydrophilic surface: 68.707
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.