MMsINC Database Search


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MMsINC code: MMs01769507

Type: Neutral
Formula: C₁₆H₁₅NO₄S₂

SMILES:

S(=O)(=O)(N(C1C=CS(=O)(=O)C1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15NO4S2/c18-22(19)12-11-15(13-22)17(14-7-3-1-4-8-14)23(20,21)16-9-5-2-6-10-16/h1-12,15H,13H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5025 kcal/mol

Physical Properties
Molecular Weight: 349.431 g/mol	logS: -3.65488	SlogP: 2.1926	Reactive groups: 0

Topological Properties
Globularity: 0.197917	Sterimol/B1: 2.30517	Sterimol/B2: 4.2539	Sterimol/B3: 4.72337
Sterimol/B4: 7.02892	Sterimol/L: 12.7483

Surface and Volume Properties
Accessible surface: 501.928	Positive charged surface: 245.694	Negative charged surface: 256.234	Volume: 295.375
Hydrophobic surface: 384.759	Hydrophilic surface: 117.169

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.