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MMsINC code: MMs01510711

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₄S

SMILES:

Clc1cc(OCC(=O)NCCc2ccc(S(=O)(=O)N)cc2)ccc1Cl

InChI:

InChI=1/C16H16Cl2N2O4S/c17-14-6-3-12(9-15(14)18)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(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)=47.414 kcal/mol

Physical Properties
Molecular Weight: 403.286 g/mol	logS: -5.13239	SlogP: 2.37847	Reactive groups: 0

Topological Properties
Globularity: 0.0264671	Sterimol/B1: 2.4327	Sterimol/B2: 4.37369	Sterimol/B3: 4.50437
Sterimol/B4: 4.81785	Sterimol/L: 22.327

Surface and Volume Properties
Accessible surface: 645.982	Positive charged surface: 302.406	Negative charged surface: 343.576	Volume: 332.125
Hydrophobic surface: 454.52	Hydrophilic surface: 191.462

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01510712
ENAMINE-ZINC03564570