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PUBCHEM-ZINC02032491

 MMsINC code: MMs02859423
Type: Neutral
Formula: C13H19PS
SMILES:   S=P1(CC(C)(C)C1(C)C)c1ccccc1
InChI:   InChI=1/C13H19PS/c1-12(2)10-14(15,13(12,3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=98.6502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.335 g/mol  logS: -3.58797  SlogP: 3.6098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180705  Sterimol/B1: 2.89726  Sterimol/B2: 3.79678  Sterimol/B3: 4.6586
  Sterimol/B4: 4.74314  Sterimol/L: 12.1677 
 
 Surface and Volume Properties
  Accessible surface: 432.6  Positive charged surface: 216.394  Negative charged surface: 194.123  Volume: 242.25
  Hydrophobic surface: 323.875  Hydrophilic surface: 108.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.