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MMsINC code: MMs01580930

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₃S

SMILES:

Clc1cc(ccc1Cl)CC(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C16H16Cl2N2O3S/c17-14-6-3-12(9-15(14)18)10-16(21)20-8-7-11-1-4-13(5-2-11)24(19,22)23/h1-6,9H,7-8,10H2,(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)=38.439 kcal/mol

Physical Properties
Molecular Weight: 387.287 g/mol	logS: -5.11704	SlogP: 2.54214	Reactive groups: 0

Topological Properties
Globularity: 0.0607483	Sterimol/B1: 2.39651	Sterimol/B2: 4.11977	Sterimol/B3: 4.50188
Sterimol/B4: 5.30307	Sterimol/L: 20.1875

Surface and Volume Properties
Accessible surface: 625.203	Positive charged surface: 296.91	Negative charged surface: 328.293	Volume: 326.125
Hydrophobic surface: 450.159	Hydrophilic surface: 175.044

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

MMs01580931
ENAMINE-ZINC05062290