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MMsINC code: MMs01387175

Type: Neutral
Formula: C₁₄H₁₄ClFN₂O₂S

SMILES:

Clc1c2c(sc1C(=O)N(C(C)C)CC(=O)N)cc(F)cc2

InChI:

InChI=1/C14H14ClFN2O2S/c1-7(2)18(6-11(17)19)14(20)13-12(15)9-4-3-8(16)5-10(9)21-13/h3-5,7H,6H2,1-2H3,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.743 kcal/mol

Physical Properties
Molecular Weight: 328.795 g/mol	logS: -5.04062	SlogP: 3.0297	Reactive groups: 0

Topological Properties
Globularity: 0.0717721	Sterimol/B1: 2.50856	Sterimol/B2: 3.89231	Sterimol/B3: 4.5767
Sterimol/B4: 6.78829	Sterimol/L: 14.1029

Surface and Volume Properties
Accessible surface: 500.005	Positive charged surface: 267.923	Negative charged surface: 226.65	Volume: 272.375
Hydrophobic surface: 359.565	Hydrophilic surface: 140.44

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.