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MMsINC code: MMs02717488

Type: Ionized
Formula: C₁₅H₁₄ClN₂O₄S-

SMILES:

Clc1ccc(cc1S(=O)([O-])=[NH])C(=O)NC(C)c1ccccc1O

InChI:

InChI=1/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9H,1H3,(H4,17,18,19,20,21,22)/p-1/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.5186 kcal/mol

Physical Properties
Molecular Weight: 353.806 g/mol	logS: -4.24946	SlogP: 2.6037	Reactive groups: 0

Topological Properties
Globularity: 0.144285	Sterimol/B1: 2.24514	Sterimol/B2: 4.38688	Sterimol/B3: 4.59618
Sterimol/B4: 6.60791	Sterimol/L: 15.4694

Surface and Volume Properties
Accessible surface: 558.353	Positive charged surface: 238.517	Negative charged surface: 319.836	Volume: 297.25
Hydrophobic surface: 358.436	Hydrophilic surface: 199.917

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 3	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02717487
PUBCHEM-ZINC00638492