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IFLAB-ZINC04325766

 MMsINC code: MMs02041411
Type: Neutral
Formula: C15H8Cl2N2O3S
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1sc2c(n1)cc1OCOc1c2
InChI:   InChI=1/C15H8Cl2N2O3S/c16-7-1-2-8(9(17)3-7)14(20)19-15-18-10-4-11-12(22-6-21-11)5-13(10)23-15/h1-5H,6H2,(H,18,19,20)

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Potential Energy
Epot(MMFF94)=71.6882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.212 g/mol  logS: -6.0654  SlogP: 4.5841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0030798  Sterimol/B1: 2.28373  Sterimol/B2: 2.53268  Sterimol/B3: 2.75496
  Sterimol/B4: 6.34574  Sterimol/L: 19.3476 
 
 Surface and Volume Properties
  Accessible surface: 541.581  Positive charged surface: 244.086  Negative charged surface: 297.495  Volume: 286.875
  Hydrophobic surface: 420.949  Hydrophilic surface: 120.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.