MMsINC Database Search


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MMsINC code: MMs00881840

Type: Neutral
Formula: C₁₃H₁₀N₂O₂S₂

SMILES:

s1cccc1-c1onc(c1)C(=O)NCc1sccc1

InChI:

InChI=1/C13H10N2O2S2/c16-13(14-8-9-3-1-5-18-9)10-7-11(17-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5525 kcal/mol

Physical Properties
Molecular Weight: 290.367 g/mol	logS: -3.92258	SlogP: 3.661	Reactive groups: 0

Topological Properties
Globularity: 0.0215959	Sterimol/B1: 2.67818	Sterimol/B2: 2.79058	Sterimol/B3: 4.42567
Sterimol/B4: 5.21958	Sterimol/L: 17.5646

Surface and Volume Properties
Accessible surface: 516.046	Positive charged surface: 226.244	Negative charged surface: 289.802	Volume: 249.25
Hydrophobic surface: 428.563	Hydrophilic surface: 87.483

Pharmacophoric Properties
Hydrogen bond donors: 1	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.