MMsINC Database Search


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MMsINC code: MMs00064029

Type: Neutral
Formula: C₁₈H₁₆ClNO₂S

SMILES:

Clc1c2c(sc1C(=O)NC(C)c1ccccc1)cc(OC)cc2

InChI:

InChI=1/C18H16ClNO2S/c1-11(12-6-4-3-5-7-12)20-18(21)17-16(19)14-9-8-13(22-2)10-15(14)23-17/h3-11H,1-2H3,(H,20,21)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4438 kcal/mol

Physical Properties
Molecular Weight: 345.85 g/mol	logS: -6.06414	SlogP: 5.1498	Reactive groups: 0

Topological Properties
Globularity: 0.0331515	Sterimol/B1: 2.29258	Sterimol/B2: 3.46111	Sterimol/B3: 4.80368
Sterimol/B4: 6.48794	Sterimol/L: 18.1477

Surface and Volume Properties
Accessible surface: 585.918	Positive charged surface: 306.292	Negative charged surface: 274.755	Volume: 314.125
Hydrophobic surface: 529.221	Hydrophilic surface: 56.697

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.