MMsINC Database Search


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MMsINC code: MMs01761149

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂S

SMILES:

S(=O)(=O)(N1CCN(CC1)c1ccc(F)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H19FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-10,15H,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.503 kcal/mol

Physical Properties
Molecular Weight: 370.448 g/mol	logS: -5.34189	SlogP: 3.4898	Reactive groups: 0

Topological Properties
Globularity: 0.0459002	Sterimol/B1: 2.12704	Sterimol/B2: 3.51521	Sterimol/B3: 4.94001
Sterimol/B4: 5.59335	Sterimol/L: 19.0367

Surface and Volume Properties
Accessible surface: 595.909	Positive charged surface: 320.498	Negative charged surface: 264.339	Volume: 331.75
Hydrophobic surface: 532.292	Hydrophilic surface: 63.617

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.