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MMsINC code: MMs00651626

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₂S

SMILES:

Clc1cc(Cl)ccc1C(=O)NC(=S)Nc1ccccc1OCC

InChI:

InChI=1/C16H14Cl2N2O2S/c1-2-22-14-6-4-3-5-13(14)19-16(23)20-15(21)11-8-7-10(17)9-12(11)18/h3-9H,2H2,1H3,(H2,19,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.454 kcal/mol

Physical Properties
Molecular Weight: 369.272 g/mol	logS: -6.66453	SlogP: 4.5189	Reactive groups: 0

Topological Properties
Globularity: 0.0321086	Sterimol/B1: 2.01228	Sterimol/B2: 3.31859	Sterimol/B3: 3.41048
Sterimol/B4: 8.82567	Sterimol/L: 16.9471

Surface and Volume Properties
Accessible surface: 595.674	Positive charged surface: 287.44	Negative charged surface: 308.233	Volume: 312.75
Hydrophobic surface: 471.561	Hydrophilic surface: 124.113

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: no related molecules available.