MMsINC Database Search


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MMsINC code: MMs01589533

Type: Neutral
Formula: C₁₆H₁₇ClFNO₂S

SMILES:

Clc1cccc(F)c1CN(S(=O)(=O)c1cc(ccc1C)C)C

InChI:

InChI=1/C16H17ClFNO2S/c1-11-7-8-12(2)16(9-11)22(20,21)19(3)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0302 kcal/mol

Physical Properties
Molecular Weight: 341.834 g/mol	logS: -4.73	SlogP: 4.18304	Reactive groups: 0

Topological Properties
Globularity: 0.298046	Sterimol/B1: 2.46589	Sterimol/B2: 2.56159	Sterimol/B3: 6.17294
Sterimol/B4: 7.77576	Sterimol/L: 12.2516

Surface and Volume Properties
Accessible surface: 486.784	Positive charged surface: 276.962	Negative charged surface: 209.822	Volume: 300.75
Hydrophobic surface: 432.648	Hydrophilic surface: 54.136

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.