MMsINC Database Search


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MMsINC code: MMs01628771

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)NCc1ccccc1F

InChI:

InChI=1/C16H17FN2O3S/c1-19(2)23(21,22)14-8-5-7-12(10-14)16(20)18-11-13-6-3-4-9-15(13)17/h3-10H,11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9785 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -3.50745	SlogP: 2.2724	Reactive groups: 0

Topological Properties
Globularity: 0.0655841	Sterimol/B1: 2.20574	Sterimol/B2: 3.22013	Sterimol/B3: 4.52871
Sterimol/B4: 6.59199	Sterimol/L: 17.4621

Surface and Volume Properties
Accessible surface: 569.83	Positive charged surface: 330.204	Negative charged surface: 239.626	Volume: 297.5
Hydrophobic surface: 469.615	Hydrophilic surface: 100.215

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.