MMsINC Database Search


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MMsINC code: MMs01644297

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂O₄S₂

SMILES:

Clc1sc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)NCCOC

InChI:

InChI=1/C14H14Cl2N2O4S2/c1-22-7-6-17-14(19)9-2-4-10(5-3-9)18-24(20,21)11-8-12(15)23-13(11)16/h2-5,8,18H,6-7H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8635 kcal/mol

Physical Properties
Molecular Weight: 409.314 g/mol	logS: -5.08034	SlogP: 3.2319	Reactive groups: 0

Topological Properties
Globularity: 0.0976396	Sterimol/B1: 3.66136	Sterimol/B2: 3.97297	Sterimol/B3: 5.12177
Sterimol/B4: 6.73594	Sterimol/L: 16.0126

Surface and Volume Properties
Accessible surface: 608.049	Positive charged surface: 291.057	Negative charged surface: 316.992	Volume: 322.875
Hydrophobic surface: 484.628	Hydrophilic surface: 123.421

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: no related molecules available.