MMsINC Database Search


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MMsINC code: MMs02167419

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccccc1

InChI:

InChI=1/C15H18N2O4S2/c1-12-9-10-14(23(20,21)17(2)3)11-15(12)16-22(18,19)13-7-5-4-6-8-13/h4-11,16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4229 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -3.12075	SlogP: 2.04612	Reactive groups: 0

Topological Properties
Globularity: 0.257605	Sterimol/B1: 2.43709	Sterimol/B2: 2.78753	Sterimol/B3: 5.54388
Sterimol/B4: 8.40223	Sterimol/L: 12.088

Surface and Volume Properties
Accessible surface: 523.149	Positive charged surface: 284.47	Negative charged surface: 238.679	Volume: 306.5
Hydrophobic surface: 393.051	Hydrophilic surface: 130.098

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.