MMsINC Database Search


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MMsINC code: MMs01622360

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(N(CCCC)C)c1ccc(NC(=O)Cc2ccccc2F)cc1

InChI:

InChI=1/C19H23FN2O3S/c1-3-4-13-22(2)26(24,25)17-11-9-16(10-12-17)21-19(23)14-15-7-5-6-8-18(15)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5663 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.66908	SlogP: 3.42747	Reactive groups: 0

Topological Properties
Globularity: 0.0617454	Sterimol/B1: 2.27623	Sterimol/B2: 2.88222	Sterimol/B3: 5.3925
Sterimol/B4: 8.09584	Sterimol/L: 18.0468

Surface and Volume Properties
Accessible surface: 638.359	Positive charged surface: 396.84	Negative charged surface: 241.519	Volume: 351.875
Hydrophobic surface: 521.639	Hydrophilic surface: 116.72

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.