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MMsINC code: MMs02763981

Type: Neutral
Formula: C₁₈H₁₅ClFN₃O₄S

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C18H15ClFN3O4S/c1-10-15(17(23-27-10)16-13(19)3-2-4-14(16)20)18(24)22-9-11-5-7-12(8-6-11)28(21,25)26/h2-8H,9H2,1H3,(H,22,24)(H2,21,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4168 kcal/mol

Physical Properties
Molecular Weight: 423.852 g/mol	logS: -5.90971	SlogP: 3.28632	Reactive groups: 0

Topological Properties
Globularity: 0.10854	Sterimol/B1: 2.19793	Sterimol/B2: 4.34746	Sterimol/B3: 4.59694
Sterimol/B4: 10.2996	Sterimol/L: 15.3172

Surface and Volume Properties
Accessible surface: 641.215	Positive charged surface: 293.217	Negative charged surface: 347.998	Volume: 345.5
Hydrophobic surface: 457.401	Hydrophilic surface: 183.814

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02763982
PUBCHEM-ZINC01071136