MMsINC Database Search


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MMsINC code: MMs01383897

Type: Neutral
Formula: C₁₉H₂₁FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)N(Cc1cc(F)ccc1)C

InChI:

InChI=1/C19H21FN2O4S/c1-21(14-15-3-2-4-17(20)13-15)19(23)16-5-7-18(8-6-16)27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9772 kcal/mol

Physical Properties
Molecular Weight: 392.451 g/mol	logS: -3.69294	SlogP: 2.3852	Reactive groups: 0

Topological Properties
Globularity: 0.0457637	Sterimol/B1: 2.3455	Sterimol/B2: 3.79098	Sterimol/B3: 4.15015
Sterimol/B4: 6.37383	Sterimol/L: 18.0801

Surface and Volume Properties
Accessible surface: 617.14	Positive charged surface: 388.615	Negative charged surface: 228.525	Volume: 349
Hydrophobic surface: 515.358	Hydrophilic surface: 101.782

Pharmacophoric Properties
Hydrogen bond donors: 0	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.