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MMsINC code: MMs00218422

Type: Neutral
Formula: C₁₇H₁₃ClN₂O₄S

SMILES:

Clc1cc(ccc1)-c1oc(cc1)C(=O)Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C17H13ClN2O4S/c18-12-3-1-2-11(10-12)15-8-9-16(24-15)17(21)20-13-4-6-14(7-5-13)25(19,22)23/h1-10H,(H,20,21)(H2,19,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9698 kcal/mol

Physical Properties
Molecular Weight: 376.82 g/mol	logS: -6.46252	SlogP: 3.4997	Reactive groups: 0

Topological Properties
Globularity: 0.0145956	Sterimol/B1: 2.55682	Sterimol/B2: 2.7111	Sterimol/B3: 3.53218
Sterimol/B4: 7.2574	Sterimol/L: 20.1196

Surface and Volume Properties
Accessible surface: 606.433	Positive charged surface: 275.421	Negative charged surface: 331.013	Volume: 314.25
Hydrophobic surface: 424.453	Hydrophilic surface: 181.98

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

MMs00218423
ASINEX-ZINC00915930