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NCID-ZINC04782982

 MMsINC code: MMs02405447
Type: Neutral
Formula: C16H31O6P
SMILES:   P(OCC1OC1C)(OCC1OC1C)(OC(CCCCC)CC)=O
InChI:   InChI=1/C16H31O6P/c1-5-7-8-9-14(6-2)22-23(17,18-10-15-12(3)20-15)19-11-16-13(4)21-16/h12-16H,5-11H2,1-4H3/t12-,13-,14+,15+,16+/m0/s1

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Potential Energy
Epot(MMFF94)=12.0524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.392 g/mol  logS: -3.70694  SlogP: 3.0076  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.60458  Sterimol/B1: 2.54214  Sterimol/B2: 3.70364  Sterimol/B3: 7.6497
  Sterimol/B4: 9.59387  Sterimol/L: 12.3376 
 
 Surface and Volume Properties
  Accessible surface: 663.645  Positive charged surface: 437.555  Negative charged surface: 226.09  Volume: 352.125
  Hydrophobic surface: 536.732  Hydrophilic surface: 126.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.