MMsINC Database Search


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MMsINC code: MMs01504348

Type: Neutral
Formula: C₁₅H₂₁FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(=O)NC(C)(C)C

InChI:

InChI=1/C15H21FN2O4S/c1-15(2,3)17-14(19)11-4-5-12(16)13(10-11)23(20,21)18-6-8-22-9-7-18/h4-5,10H,6-9H2,1-3H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0004 kcal/mol

Physical Properties
Molecular Weight: 344.407 g/mol	logS: -3.01266	SlogP: 1.3749	Reactive groups: 0

Topological Properties
Globularity: 0.0572983	Sterimol/B1: 2.75509	Sterimol/B2: 3.72968	Sterimol/B3: 4.73194
Sterimol/B4: 5.64239	Sterimol/L: 16.5877

Surface and Volume Properties
Accessible surface: 555.998	Positive charged surface: 360.528	Negative charged surface: 195.469	Volume: 303.25
Hydrophobic surface: 411.871	Hydrophilic surface: 144.127

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.