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MMsINC code: MMs02359470

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₂S

SMILES:

Clc1cc(Cl)ccc1C(=O)NC(=S)Nc1cc(ccc1OC)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.176 kcal/mol

Physical Properties
Molecular Weight: 369.272 g/mol	logS: -6.81124	SlogP: 4.43722	Reactive groups: 0

Topological Properties
Globularity: 0.0315785	Sterimol/B1: 2.01149	Sterimol/B2: 2.41031	Sterimol/B3: 4.31626
Sterimol/B4: 8.80082	Sterimol/L: 17.5212

Surface and Volume Properties
Accessible surface: 588.103	Positive charged surface: 293.114	Negative charged surface: 294.988	Volume: 313
Hydrophobic surface: 489.305	Hydrophilic surface: 98.798

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.