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NCID-ZINC01652867

 MMsINC code: MMs02292004
Type: Neutral
Formula: C13H11NO4S
SMILES:   s1cccc1C=1OC(=O)C(N(C(=O)C)C(=O)C)=CC=1
InChI:   InChI=1/C13H11NO4S/c1-8(15)14(9(2)16)10-5-6-11(18-13(10)17)12-4-3-7-19-12/h3-7H,1-2H3

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Potential Energy
Epot(MMFF94)=123.816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.3 g/mol  logS: -3.65368  SlogP: 1.9247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438086  Sterimol/B1: 2.57163  Sterimol/B2: 3.15362  Sterimol/B3: 3.96836
  Sterimol/B4: 4.83154  Sterimol/L: 14.8035 
 
 Surface and Volume Properties
  Accessible surface: 470.765  Positive charged surface: 211.396  Negative charged surface: 259.369  Volume: 238.625
  Hydrophobic surface: 354.989  Hydrophilic surface: 115.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.