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NCID-ZINC01725459

 MMsINC code: MMs02349297
Type: Neutral
Formula: C14H10ClNO4S
SMILES:   Clc1cc([N+](=O)[O-])c(S(=O)(=O)\C=C\c2ccccc2)cc1
InChI:   InChI=1/C14H10ClNO4S/c15-12-6-7-14(13(10-12)16(17)18)21(19,20)9-8-11-4-2-1-3-5-11/h1-10H/b9-8+

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Potential Energy
Epot(MMFF94)=93.0346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.756 g/mol  logS: -5.09056  SlogP: 3.6928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107527  Sterimol/B1: 3.67015  Sterimol/B2: 4.26667  Sterimol/B3: 4.69406
  Sterimol/B4: 5.49378  Sterimol/L: 15.0765 
 
 Surface and Volume Properties
  Accessible surface: 507.968  Positive charged surface: 175.483  Negative charged surface: 332.485  Volume: 260.625
  Hydrophobic surface: 399.297  Hydrophilic surface: 108.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.