MMsINC Database Search


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MMsINC code: MMs01589440

Type: Neutral
Formula: C₁₅H₁₅ClFNO₂S

SMILES:

Clc1cc(S(=O)(=O)N(Cc2ccccc2C)C)ccc1F

InChI:

InChI=1/C15H15ClFNO2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)13-7-8-15(17)14(16)9-13/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6725 kcal/mol

Physical Properties
Molecular Weight: 327.807 g/mol	logS: -4.56953	SlogP: 3.87462	Reactive groups: 0

Topological Properties
Globularity: 0.0916361	Sterimol/B1: 2.22283	Sterimol/B2: 2.98169	Sterimol/B3: 5.25598
Sterimol/B4: 6.40166	Sterimol/L: 14.9647

Surface and Volume Properties
Accessible surface: 511.117	Positive charged surface: 236.207	Negative charged surface: 274.91	Volume: 282
Hydrophobic surface: 457.933	Hydrophilic surface: 53.184

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.