MMsINC Database Search


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MMsINC code: MMs01636134

Type: Neutral
Formula: C₁₆H₂₃FN₂O₄S

SMILES:

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

InChI:

InChI=1/C16H23FN2O4S/c1-2-3-4-7-18-16(20)13-5-6-14(17)15(12-13)24(21,22)19-8-10-23-11-9-19/h5-6,12H,2-4,7-11H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0804 kcal/mol

Physical Properties
Molecular Weight: 358.434 g/mol	logS: -3.59045	SlogP: 1.7666	Reactive groups: 0

Topological Properties
Globularity: 0.030247	Sterimol/B1: 2.73902	Sterimol/B2: 3.79707	Sterimol/B3: 4.39743
Sterimol/B4: 5.46994	Sterimol/L: 20.1928

Surface and Volume Properties
Accessible surface: 616.487	Positive charged surface: 426.585	Negative charged surface: 189.902	Volume: 322.375
Hydrophobic surface: 482.638	Hydrophilic surface: 133.849

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.