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MMsINC code: MMs00918626

Type: Neutral
Formula: C₁₅H₁₂N₂O₄S₂

SMILES:

S1C2=C(SC3C(C2c2ccc(OC)cc2)C(=O)NC3=O)NC1=O

InChI:

InChI=1/C15H12N2O4S2/c1-21-7-4-2-6(3-5-7)8-9-10(13(19)16-12(9)18)22-14-11(8)23-15(20)17-14/h2-5,8-10H,1H3,(H,17,20)(H,16,18,19)/t8-,9+,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3361 kcal/mol

Physical Properties
Molecular Weight: 348.403 g/mol	logS: -4.41719	SlogP: 1.7923	Reactive groups: 0

Topological Properties
Globularity: 0.119385	Sterimol/B1: 3.47636	Sterimol/B2: 3.73199	Sterimol/B3: 5.29558
Sterimol/B4: 6.57085	Sterimol/L: 13.828

Surface and Volume Properties
Accessible surface: 507.585	Positive charged surface: 286.269	Negative charged surface: 221.315	Volume: 280.625
Hydrophobic surface: 234.406	Hydrophilic surface: 273.179

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.