MMsINC Database Search


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MMsINC code: MMs01632923

Type: Neutral
Formula: C₁₅H₁₃ClFNO₃S

SMILES:

Clc1cc(F)c(NC(=O)c2ccc(cc2)CS(=O)(=O)C)cc1

InChI:

InChI=1/C15H13ClFNO3S/c1-22(20,21)9-10-2-4-11(5-3-10)15(19)18-14-7-6-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2815 kcal/mol

Physical Properties
Molecular Weight: 341.79 g/mol	logS: -4.46887	SlogP: 3.5424	Reactive groups: 0

Topological Properties
Globularity: 0.0259483	Sterimol/B1: 3.2504	Sterimol/B2: 3.42495	Sterimol/B3: 3.60432
Sterimol/B4: 4.52696	Sterimol/L: 18.8898

Surface and Volume Properties
Accessible surface: 547.796	Positive charged surface: 243.7	Negative charged surface: 304.096	Volume: 284.125
Hydrophobic surface: 452.866	Hydrophilic surface: 94.93

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.