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NCID-ZINC01713303

 MMsINC code: MMs02339847
Type: Neutral
Formula: C8H18ClO4P
SMILES:   ClCP(OC(C)C)(OCCCCO)=O
InChI:   InChI=1/C8H18ClO4P/c1-8(2)13-14(11,7-9)12-6-4-3-5-10/h8,10H,3-7H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=18.1491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.655 g/mol  logS: -0.93758  SlogP: 1.5197  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0978612  Sterimol/B1: 2.6079  Sterimol/B2: 3.00718  Sterimol/B3: 4.75351
  Sterimol/B4: 7.17622  Sterimol/L: 13.2869 
 
 Surface and Volume Properties
  Accessible surface: 477.828  Positive charged surface: 311.48  Negative charged surface: 166.349  Volume: 221.5
  Hydrophobic surface: 285.485  Hydrophilic surface: 192.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.