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MMsINC code: MMs01646516

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₃S

SMILES:

Clc1cc(S(=O)(=O)NCc2ccc(cc2)C(=O)NC2CCCC2)ccc1F

InChI:

InChI=1/C19H20ClFN2O3S/c20-17-11-16(9-10-18(17)21)27(25,26)22-12-13-5-7-14(8-6-13)19(24)23-15-3-1-2-4-15/h5-11,15,22H,1-4,12H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.9738 kcal/mol

Physical Properties
Molecular Weight: 410.897 g/mol	logS: -5.12208	SlogP: 3.8964	Reactive groups: 0

Topological Properties
Globularity: 0.0476631	Sterimol/B1: 2.85429	Sterimol/B2: 3.70921	Sterimol/B3: 5.51593
Sterimol/B4: 5.82039	Sterimol/L: 19.8638

Surface and Volume Properties
Accessible surface: 661.445	Positive charged surface: 338.073	Negative charged surface: 323.373	Volume: 355
Hydrophobic surface: 544.402	Hydrophilic surface: 117.043

Pharmacophoric Properties
Hydrogen bond donors: 2	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.