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ASINEX-ZINC00227476

 MMsINC code: MMs00094607
Type: Ionized
Formula: C13H10NO3S-
SMILES:   s1c(NC(=O)c2ccccc2)c(cc1C)C(=O)[O-]
InChI:   InChI=1/C13H11NO3S/c1-8-7-10(13(16)17)12(18-8)14-11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=34.3677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -3.86312  SlogP: 1.67232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152313  Sterimol/B1: 2.46848  Sterimol/B2: 2.64481  Sterimol/B3: 2.67326
  Sterimol/B4: 6.53341  Sterimol/L: 14.981 
 
 Surface and Volume Properties
  Accessible surface: 457.892  Positive charged surface: 218.366  Negative charged surface: 239.526  Volume: 230.25
  Hydrophobic surface: 342.981  Hydrophilic surface: 114.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00094606
ASINEX-ZINC00227476