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NCID-ZINC01643409

 MMsINC code: MMs02284875
Type: Neutral
Formula: C18H22NO4PS
SMILES:   S(CCC(P(O)(=O)c1ccccc1)NOC(=O)Cc1ccccc1)C
InChI:   InChI=1/C18H22NO4PS/c1-25-13-12-17(24(21,22)16-10-6-3-7-11-16)19-23-18(20)14-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3,(H,21,22)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=110.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.417 g/mol  logS: -3.84471  SlogP: 1.88177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667827  Sterimol/B1: 2.36716  Sterimol/B2: 3.14299  Sterimol/B3: 4.20049
  Sterimol/B4: 9.86456  Sterimol/L: 18.5877 
 
 Surface and Volume Properties
  Accessible surface: 660.58  Positive charged surface: 367.075  Negative charged surface: 293.506  Volume: 355.375
  Hydrophobic surface: 521.988  Hydrophilic surface: 138.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.