MMsINC Database Search


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MMsINC code: MMs01616567

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NCCc1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O3S/c1-20(2)24(22,23)16-9-5-14(6-10-16)17(21)19-12-11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.4889 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -3.56892	SlogP: 2.04847	Reactive groups: 0

Topological Properties
Globularity: 0.0464799	Sterimol/B1: 1.969	Sterimol/B2: 3.60616	Sterimol/B3: 4.12718
Sterimol/B4: 6.21364	Sterimol/L: 19.6763

Surface and Volume Properties
Accessible surface: 604.454	Positive charged surface: 363.187	Negative charged surface: 241.267	Volume: 317.875
Hydrophobic surface: 504.3	Hydrophilic surface: 100.154

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.