MMsINC Database Search


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MMsINC code: MMs02687393

Type: Neutral
Formula: C₁₇H₁₈N₂O₄S

SMILES:

S(=O)(=O)(NC(=O)C)c1ccc(NC(=O)Cc2ccc(cc2)C)cc1

InChI:

InChI=1/C17H18N2O4S/c1-12-3-5-14(6-4-12)11-17(21)18-15-7-9-16(10-8-15)24(22,23)19-13(2)20/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6313 kcal/mol

Physical Properties
Molecular Weight: 346.407 g/mol	logS: -4.3228	SlogP: 2.00099	Reactive groups: 0

Topological Properties
Globularity: 0.056693	Sterimol/B1: 2.96563	Sterimol/B2: 3.94642	Sterimol/B3: 4.14606
Sterimol/B4: 5.7255	Sterimol/L: 19.0521

Surface and Volume Properties
Accessible surface: 600.738	Positive charged surface: 340.475	Negative charged surface: 260.263	Volume: 316
Hydrophobic surface: 454.893	Hydrophilic surface: 145.845

Pharmacophoric Properties
Hydrogen bond donors: 2	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.