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MMsINC code: MMs00341754

Type: Neutral
Formula: C₁₇H₁₄ClFN₂O₂S

SMILES:

Clc1cccc(F)c1CSCC(=O)N1CC(=O)Nc2c1cccc2

InChI:

InChI=1/C17H14ClFN2O2S/c18-12-4-3-5-13(19)11(12)9-24-10-17(23)21-8-16(22)20-14-6-1-2-7-15(14)21/h1-7H,8-10H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4789 kcal/mol

Physical Properties
Molecular Weight: 364.828 g/mol	logS: -5.62096	SlogP: 3.964	Reactive groups: 0

Topological Properties
Globularity: 0.0498063	Sterimol/B1: 3.19283	Sterimol/B2: 4.11763	Sterimol/B3: 4.17509
Sterimol/B4: 7.21246	Sterimol/L: 17.3781

Surface and Volume Properties
Accessible surface: 581.722	Positive charged surface: 292.648	Negative charged surface: 289.074	Volume: 309.75
Hydrophobic surface: 447.914	Hydrophilic surface: 133.808

Pharmacophoric Properties
Hydrogen bond donors: 1	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.