MMsINC Database Search


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MMsINC code: MMs01717607

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccccc1C(=O)NCc1ccccc1F

InChI:

InChI=1/C19H21FN2O3S/c20-17-10-4-2-8-15(17)14-21-19(23)16-9-3-5-11-18(16)26(24,25)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-14H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2358 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -4.2616	SlogP: 3.1967	Reactive groups: 0

Topological Properties
Globularity: 0.0590901	Sterimol/B1: 2.39957	Sterimol/B2: 2.95619	Sterimol/B3: 4.97432
Sterimol/B4: 6.96295	Sterimol/L: 18.4762

Surface and Volume Properties
Accessible surface: 617.547	Positive charged surface: 370.466	Negative charged surface: 247.081	Volume: 337.25
Hydrophobic surface: 544.721	Hydrophilic surface: 72.826

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.