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PUBCHEM-ZINC02852434

 MMsINC code: MMs02939058
Type: Neutral
Formula: C18H18ClNO3S
SMILES:   Clc1ccc(cc1NC(=O)C(Sc1ccc(cc1)C)C)C(OC)=O
InChI:   InChI=1/C18H18ClNO3S/c1-11-4-7-14(8-5-11)24-12(2)17(21)20-16-10-13(18(22)23-3)6-9-15(16)19/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=94.2706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.865 g/mol  logS: -6.31986  SlogP: 4.55432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422738  Sterimol/B1: 3.3677  Sterimol/B2: 4.29614  Sterimol/B3: 4.34163
  Sterimol/B4: 6.5698  Sterimol/L: 19.3681 
 
 Surface and Volume Properties
  Accessible surface: 626.083  Positive charged surface: 351.199  Negative charged surface: 274.884  Volume: 331.375
  Hydrophobic surface: 508.878  Hydrophilic surface: 117.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.