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MMsINC code: MMs01725191

Type: Ionized
Formula: C₁₅H₁₄ClN₂O₄S-

SMILES:

Clc1cc(O)c(cc1S(=O)([O-])=[NH])C(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7H,1-2H3,(H4,17,18,19,20,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9956 kcal/mol

Physical Properties
Molecular Weight: 353.806 g/mol	logS: -4.29915	SlogP: 2.88634	Reactive groups: 0

Topological Properties
Globularity: 0.103767	Sterimol/B1: 2.24801	Sterimol/B2: 2.37995	Sterimol/B3: 5.47898
Sterimol/B4: 7.0474	Sterimol/L: 15.5908

Surface and Volume Properties
Accessible surface: 538.47	Positive charged surface: 232.367	Negative charged surface: 306.103	Volume: 296.5
Hydrophobic surface: 387.904	Hydrophilic surface: 150.566

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 3	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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Parent related molecule:

MMs01725190
FDA-ZINC00538538