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ENAMINE-ZINC05702697

 MMsINC code: MMs01635915
Type: Neutral
Formula: C13H10ClNO4S2
SMILES:   Clc1ccccc1Sc1ccc(S(=O)(=O)C)cc1[N+](=O)[O-]
InChI:   InChI=1/C13H10ClNO4S2/c1-21(18,19)9-6-7-13(11(8-9)15(16)17)20-12-5-3-2-4-10(12)14/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=89.5323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.811 g/mol  logS: -5.89535  SlogP: 3.8029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104648  Sterimol/B1: 2.19531  Sterimol/B2: 3.97913  Sterimol/B3: 4.3005
  Sterimol/B4: 7.36118  Sterimol/L: 13.6262 
 
 Surface and Volume Properties
  Accessible surface: 507.265  Positive charged surface: 188.576  Negative charged surface: 318.69  Volume: 268.75
  Hydrophobic surface: 350.67  Hydrophilic surface: 156.595
 
 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.