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MMsINC code: MMs00318918

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2cc(F)c(cc2)C)cc1

InChI:

InChI=1/C19H20ClFN2O3S/c1-13-2-5-16(12-18(13)21)22-19(24)14-8-10-23(11-9-14)27(25,26)17-6-3-15(20)4-7-17/h2-7,12,14H,8-11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7159 kcal/mol

Physical Properties
Molecular Weight: 410.897 g/mol	logS: -4.79347	SlogP: 3.82692	Reactive groups: 0

Topological Properties
Globularity: 0.0398352	Sterimol/B1: 3.64291	Sterimol/B2: 3.85378	Sterimol/B3: 4.0155
Sterimol/B4: 4.15821	Sterimol/L: 21.1686

Surface and Volume Properties
Accessible surface: 646.826	Positive charged surface: 337.605	Negative charged surface: 309.22	Volume: 354.375
Hydrophobic surface: 559.709	Hydrophilic surface: 87.117

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.