MMsINC Database Search


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MMsINC code: MMs02157186

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂O₃S

SMILES:

Clc1cccc(Cl)c1SC(=O)c1c(onc1C)-c1noc(c1)C

InChI:

InChI=1/C15H10Cl2N2O3S/c1-7-6-11(19-21-7)13-12(8(2)18-22-13)15(20)23-14-9(16)4-3-5-10(14)17/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1987 kcal/mol

Physical Properties
Molecular Weight: 369.228 g/mol	logS: -6.31353	SlogP: 5.18574	Reactive groups: 0

Topological Properties
Globularity: 0.0247411	Sterimol/B1: 2.95496	Sterimol/B2: 3.09593	Sterimol/B3: 3.54412
Sterimol/B4: 8.85968	Sterimol/L: 14.7702

Surface and Volume Properties
Accessible surface: 544.58	Positive charged surface: 223.009	Negative charged surface: 321.57	Volume: 297.375
Hydrophobic surface: 460.578	Hydrophilic surface: 84.002

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.