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NCID-ZINC01612975

 MMsINC code: MMs02263173
Type: Neutral
Formula: C13H19O2P
SMILES:   P1(=O)(CC(COC1(C)C)C)c1ccccc1
InChI:   InChI=1/C13H19O2P/c1-11-9-15-13(2,3)16(14,10-11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=59.8615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.267 g/mol  logS: -2.33152  SlogP: 2.0072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203803  Sterimol/B1: 2.27933  Sterimol/B2: 3.84561  Sterimol/B3: 4.02239
  Sterimol/B4: 6.86286  Sterimol/L: 12.8262 
 
 Surface and Volume Properties
  Accessible surface: 447.67  Positive charged surface: 283.31  Negative charged surface: 164.36  Volume: 239.875
  Hydrophobic surface: 365.389  Hydrophilic surface: 82.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.