MMsINC Database Search


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MMsINC code: MMs01038736

Type: Neutral
Formula: C₁₉H₁₉ClFNO₄S

SMILES:

Clc1ccccc1OCC(=O)N(Cc1ccccc1F)C1CCS(=O)(=O)C1

InChI:

InChI=1/C19H19ClFNO4S/c20-16-6-2-4-8-18(16)26-12-19(23)22(15-9-10-27(24,25)13-15)11-14-5-1-3-7-17(14)21/h1-8,15H,9-13H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.997 kcal/mol

Physical Properties
Molecular Weight: 411.881 g/mol	logS: -4.76079	SlogP: 3.3402	Reactive groups: 0

Topological Properties
Globularity: 0.112979	Sterimol/B1: 3.27845	Sterimol/B2: 4.08061	Sterimol/B3: 4.9081
Sterimol/B4: 7.39312	Sterimol/L: 15.7114

Surface and Volume Properties
Accessible surface: 609.627	Positive charged surface: 300.417	Negative charged surface: 309.21	Volume: 350.5
Hydrophobic surface: 511.907	Hydrophilic surface: 97.72

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.