MMsINC Database Search


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MMsINC code: MMs01644430

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)c1cc(NC(=O)Cc2cc(OC)ccc2)ccc1

InChI:

InChI=1/C17H20N2O4S/c1-19(2)24(21,22)16-9-5-7-14(12-16)18-17(20)11-13-6-4-8-15(10-13)23-3/h4-10,12H,11H2,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1959 kcal/mol

Physical Properties
Molecular Weight: 348.423 g/mol	logS: -3.38028	SlogP: 2.12667	Reactive groups: 0

Topological Properties
Globularity: 0.0459595	Sterimol/B1: 2.35073	Sterimol/B2: 2.73399	Sterimol/B3: 4.90298
Sterimol/B4: 6.1267	Sterimol/L: 18.7691

Surface and Volume Properties
Accessible surface: 610.516	Positive charged surface: 419.744	Negative charged surface: 190.772	Volume: 324.125
Hydrophobic surface: 504.235	Hydrophilic surface: 106.281

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.