MMsINC Database Search


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MMsINC code: MMs01265774

Type: Neutral
Formula: C₁₈H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(N(CCC(C)C)CC(=O)NCc1occc1)c1ccc(F)cc1

InChI:

InChI=1/C18H23FN2O4S/c1-14(2)9-10-21(13-18(22)20-12-16-4-3-11-25-16)26(23,24)17-7-5-15(19)6-8-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7356 kcal/mol

Physical Properties
Molecular Weight: 382.456 g/mol	logS: -4.84488	SlogP: 3.0383	Reactive groups: 0

Topological Properties
Globularity: 0.0924319	Sterimol/B1: 2.36128	Sterimol/B2: 2.4716	Sterimol/B3: 6.23674
Sterimol/B4: 9.09569	Sterimol/L: 16.6278

Surface and Volume Properties
Accessible surface: 637.472	Positive charged surface: 348.683	Negative charged surface: 288.789	Volume: 348.25
Hydrophobic surface: 485.933	Hydrophilic surface: 151.539

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.