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NCID-ZINC06041131

 MMsINC code: MMs02519352
Type: Neutral
Formula: C14H29O4PS
SMILES:   S(=O)(CP(OC1CC(CCC1C(C)C)C)(OCC)=O)C
InChI:   InChI=1/C14H29O4PS/c1-6-17-19(15,10-20(5)16)18-14-9-12(4)7-8-13(14)11(2)3/h11-14H,6-10H2,1-5H3/t12-,13+,14-,19+,20+/m1/s1

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Potential Energy
Epot(MMFF94)=42.2644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.422 g/mol  logS: -3.12331  SlogP: 2.9592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298662  Sterimol/B1: 2.12698  Sterimol/B2: 2.29056  Sterimol/B3: 6.18237
  Sterimol/B4: 9.30502  Sterimol/L: 13.5048 
 
 Surface and Volume Properties
  Accessible surface: 564.286  Positive charged surface: 402.118  Negative charged surface: 162.168  Volume: 316.375
  Hydrophobic surface: 437.861  Hydrophilic surface: 126.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.