MMsINC Database Search


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MMsINC code: MMs01507248

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=O)c1ccc(F)cc1)c1cc(C)c(cc1)C

InChI:

InChI=1/C19H21FN2O3S/c1-14-3-8-18(13-15(14)2)26(24,25)22-11-9-21(10-12-22)19(23)16-4-6-17(20)7-5-16/h3-8,13H,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5009 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -4.52458	SlogP: 2.58924	Reactive groups: 0

Topological Properties
Globularity: 0.0955366	Sterimol/B1: 2.53198	Sterimol/B2: 3.49291	Sterimol/B3: 5.55691
Sterimol/B4: 6.48093	Sterimol/L: 17.2191

Surface and Volume Properties
Accessible surface: 606.975	Positive charged surface: 345.417	Negative charged surface: 261.558	Volume: 340.75
Hydrophobic surface: 520.5	Hydrophilic surface: 86.475

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.