MMsINC Database Search


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MMsINC code: MMs02039712

Type: Neutral
Formula: C₁₉H₁₇FN₂O₂S

SMILES:

S(=O)(=O)(c1cnc2c(cc(F)cc2)c1N1CCCC1)c1ccccc1

InChI:

InChI=1/C19H17FN2O2S/c20-14-8-9-17-16(12-14)19(22-10-4-5-11-22)18(13-21-17)25(23,24)15-6-2-1-3-7-15/h1-3,6-9,12-13H,4-5,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.589 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -4.71274	SlogP: 3.8069	Reactive groups: 0

Topological Properties
Globularity: 0.191167	Sterimol/B1: 2.24367	Sterimol/B2: 4.83188	Sterimol/B3: 5.52145
Sterimol/B4: 5.97643	Sterimol/L: 13.3928

Surface and Volume Properties
Accessible surface: 523.717	Positive charged surface: 289.564	Negative charged surface: 230.634	Volume: 313.5
Hydrophobic surface: 439.457	Hydrophilic surface: 84.26

Pharmacophoric Properties
Hydrogen bond donors: 0	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.