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ENAMINE-ZINC03384036

 MMsINC code: MMs01409016
Type: Neutral
Formula: C15H14ClNO3S
SMILES:   Clc1cc(NC(=O)C(OC(=O)c2sccc2C)C)ccc1
InChI:   InChI=1/C15H14ClNO3S/c1-9-6-7-21-13(9)15(19)20-10(2)14(18)17-12-5-3-4-11(16)8-12/h3-8,10H,1-2H3,(H,17,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=70.5385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.8 g/mol  logS: -4.79168  SlogP: 3.89392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039417  Sterimol/B1: 2.12375  Sterimol/B2: 3.40543  Sterimol/B3: 4.60586
  Sterimol/B4: 5.33691  Sterimol/L: 17.6512 
 
 Surface and Volume Properties
  Accessible surface: 562.394  Positive charged surface: 258.347  Negative charged surface: 304.047  Volume: 284.75
  Hydrophobic surface: 479.571  Hydrophilic surface: 82.823
 
 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.