MMsINC Database Search


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MMsINC code: MMs01524669

Type: Neutral
Formula: C₁₉H₂₁FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)NCCc1ccc(F)cc1

InChI:

InChI=1/C19H21FN2O4S/c20-17-6-4-15(5-7-17)8-9-21-19(23)16-2-1-3-18(14-16)27(24,25)22-10-12-26-13-11-22/h1-7,14H,8-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8021 kcal/mol

Physical Properties
Molecular Weight: 392.451 g/mol	logS: -3.8604	SlogP: 1.81907	Reactive groups: 0

Topological Properties
Globularity: 0.0395927	Sterimol/B1: 2.41345	Sterimol/B2: 3.03675	Sterimol/B3: 4.78664
Sterimol/B4: 8.02616	Sterimol/L: 19.9964

Surface and Volume Properties
Accessible surface: 641.311	Positive charged surface: 384.216	Negative charged surface: 257.096	Volume: 348.875
Hydrophobic surface: 534.376	Hydrophilic surface: 106.935

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.