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MMsINC code: MMs02717654

Type: Neutral
Formula: C₁₅H₁₃Cl₂N₃O₄S

SMILES:

Clc1cc(NC(=O)Nc2ccc(S(=O)(=O)NC(=O)C)cc2)ccc1Cl

InChI:

InChI=1/C15H13Cl2N3O4S/c1-9(21)20-25(23,24)12-5-2-10(3-6-12)18-15(22)19-11-4-7-13(16)14(17)8-11/h2-8H,1H3,(H,20,21)(H2,18,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.3853 kcal/mol

Physical Properties
Molecular Weight: 402.258 g/mol	logS: -5.15317	SlogP: 3.4622	Reactive groups: 0

Topological Properties
Globularity: 0.0636156	Sterimol/B1: 2.47314	Sterimol/B2: 3.51215	Sterimol/B3: 5.79997
Sterimol/B4: 6.29906	Sterimol/L: 17.7018

Surface and Volume Properties
Accessible surface: 607.194	Positive charged surface: 268.959	Negative charged surface: 338.235	Volume: 319.75
Hydrophobic surface: 437.239	Hydrophilic surface: 169.955

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.