MMsINC Database Search


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MMsINC code: MMs00072447

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C17H17FN2O3S/c18-14-5-7-15(8-6-14)19-17(21)13-3-9-16(10-4-13)24(22,23)20-11-1-2-12-20/h3-10H,1-2,11-12H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0166 kcal/mol

Physical Properties
Molecular Weight: 348.398 g/mol	logS: -4.11579	SlogP: 2.8625	Reactive groups: 0

Topological Properties
Globularity: 0.0650162	Sterimol/B1: 2.44264	Sterimol/B2: 3.77769	Sterimol/B3: 4.75872
Sterimol/B4: 6.0843	Sterimol/L: 17.7964

Surface and Volume Properties
Accessible surface: 572.636	Positive charged surface: 322.307	Negative charged surface: 250.329	Volume: 306.125
Hydrophobic surface: 479.258	Hydrophilic surface: 93.378

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.