MMsINC Database Search


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MMsINC code: MMs01502083

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C19H21FN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7441 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -4.51933	SlogP: 3.6427	Reactive groups: 0

Topological Properties
Globularity: 0.0394367	Sterimol/B1: 2.97106	Sterimol/B2: 3.52627	Sterimol/B3: 3.9361
Sterimol/B4: 5.12533	Sterimol/L: 19.4456

Surface and Volume Properties
Accessible surface: 598.369	Positive charged surface: 345.54	Negative charged surface: 252.829	Volume: 337.875
Hydrophobic surface: 514.186	Hydrophilic surface: 84.183

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.