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NCID-ZINC01725435

 MMsINC code: MMs02349276
Type: Neutral
Formula: C14H11Cl2NO4S
SMILES:   Clc1cc([N+](=O)[O-])c(S(=O)(=O)CC(Cl)c2ccccc2)cc1
InChI:   InChI=1/C14H11Cl2NO4S/c15-11-6-7-14(13(8-11)17(18)19)22(20,21)9-12(16)10-4-2-1-3-5-10/h1-8,12H,9H2/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=85.7452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.217 g/mol  logS: -5.58327  SlogP: 4.0975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131  Sterimol/B1: 2.93692  Sterimol/B2: 4.52513  Sterimol/B3: 4.81004
  Sterimol/B4: 5.60865  Sterimol/L: 15.4284 
 
 Surface and Volume Properties
  Accessible surface: 529.109  Positive charged surface: 178.971  Negative charged surface: 350.138  Volume: 282.875
  Hydrophobic surface: 380.316  Hydrophilic surface: 148.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.