MMsINC Database Search


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MMsINC code: MMs00897681

Type: Neutral
Formula: C₁₉H₂₂FNO₃S

SMILES:

S(Cc1ccccc1F)CCC(=O)NCc1c(OC)cccc1OC

InChI:

InChI=1/C19H22FNO3S/c1-23-17-8-5-9-18(24-2)15(17)12-21-19(22)10-11-25-13-14-6-3-4-7-16(14)20/h3-9H,10-13H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6183 kcal/mol

Physical Properties
Molecular Weight: 363.453 g/mol	logS: -4.56845	SlogP: 4.3154	Reactive groups: 0

Topological Properties
Globularity: 0.0353042	Sterimol/B1: 2.35076	Sterimol/B2: 3.19307	Sterimol/B3: 3.92366
Sterimol/B4: 9.4998	Sterimol/L: 19.7814

Surface and Volume Properties
Accessible surface: 671.613	Positive charged surface: 465.604	Negative charged surface: 206.009	Volume: 345.875
Hydrophobic surface: 584.075	Hydrophilic surface: 87.538

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.