MMsINC Database Search


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MMsINC code: MMs00662580

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)c(OC)c1C(=O)NC(=S)Nc1ccc(OC)cc1

InChI:

InChI=1/C16H14Cl2N2O3S/c1-22-10-5-3-9(4-6-10)19-16(24)20-15(21)13-11(17)7-8-12(18)14(13)23-2/h3-8H,1-2H3,(H2,19,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.433 kcal/mol

Physical Properties
Molecular Weight: 385.271 g/mol	logS: -6.3877	SlogP: 4.1374	Reactive groups: 0

Topological Properties
Globularity: 0.0292702	Sterimol/B1: 3.79109	Sterimol/B2: 3.82249	Sterimol/B3: 4.7982
Sterimol/B4: 5.12009	Sterimol/L: 18.4986

Surface and Volume Properties
Accessible surface: 604.625	Positive charged surface: 324.531	Negative charged surface: 280.094	Volume: 320.75
Hydrophobic surface: 494.406	Hydrophilic surface: 110.219

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.