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MMsINC code: MMs01425766

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₄S

SMILES:

Clc1cc(cc(Cl)c1O)C(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H14Cl2N2O4S/c16-12-7-10(8-13(17)14(12)20)15(21)19-6-5-9-1-3-11(4-2-9)24(18,22)23/h1-4,7-8,20H,5-6H2,(H,19,21)(H2,18,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8829 kcal/mol

Physical Properties
Molecular Weight: 389.259 g/mol	logS: -4.69362	SlogP: 2.31887	Reactive groups: 0

Topological Properties
Globularity: 0.0345306	Sterimol/B1: 2.4288	Sterimol/B2: 4.56112	Sterimol/B3: 4.72832
Sterimol/B4: 4.84705	Sterimol/L: 19.4156

Surface and Volume Properties
Accessible surface: 605.372	Positive charged surface: 264.504	Negative charged surface: 340.868	Volume: 310.5
Hydrophobic surface: 390.756	Hydrophilic surface: 214.616

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

MMs01425767
ENAMINE-ZINC03411067