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NCID-ZINC01737436

 MMsINC code: MMs02358392
Type: Neutral
Formula: C16H27O3P
SMILES:   P(OCCCC)(OCCCC)(=O)C(C)c1ccccc1
InChI:   InChI=1/C16H27O3P/c1-4-6-13-18-20(17,19-14-7-5-2)15(3)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=35.4639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.363 g/mol  logS: -3.79489  SlogP: 4.5994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0852806  Sterimol/B1: 2.32161  Sterimol/B2: 3.54575  Sterimol/B3: 4.02456
  Sterimol/B4: 10.3921  Sterimol/L: 16.4184 
 
 Surface and Volume Properties
  Accessible surface: 606.153  Positive charged surface: 415.514  Negative charged surface: 190.639  Volume: 315.625
  Hydrophobic surface: 511.844  Hydrophilic surface: 94.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.