MMsINC Database Search


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MMsINC code: MMs02291608

Type: Neutral
Formula: C₁₅H₁₂N₂O₄S₂

SMILES:

S1N(C(=O)c2c1cccc2)c1ccc(S(=O)(=O)NC(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.764 kcal/mol

Physical Properties
Molecular Weight: 348.403 g/mol	logS: -4.96358	SlogP: 2.1789	Reactive groups: 0

Topological Properties
Globularity: 0.0752159	Sterimol/B1: 2.09375	Sterimol/B2: 2.50915	Sterimol/B3: 5.18849
Sterimol/B4: 5.97337	Sterimol/L: 16.9523

Surface and Volume Properties
Accessible surface: 537.271	Positive charged surface: 253.545	Negative charged surface: 283.726	Volume: 287.5
Hydrophobic surface: 395.918	Hydrophilic surface: 141.353

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.