MMsINC Database Search


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MMsINC code: MMs00920269

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂O₂S

SMILES:

Clc1cc(ccc1Cl)-c1onc(c1)C(=O)NCc1sccc1

InChI:

InChI=1/C15H10Cl2N2O2S/c16-11-4-3-9(6-12(11)17)14-7-13(19-21-14)15(20)18-8-10-2-1-5-22-10/h1-7H,8H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9048 kcal/mol

Physical Properties
Molecular Weight: 353.229 g/mol	logS: -5.76861	SlogP: 4.9063	Reactive groups: 0

Topological Properties
Globularity: 0.0181538	Sterimol/B1: 2.77886	Sterimol/B2: 3.03734	Sterimol/B3: 4.4337
Sterimol/B4: 5.31349	Sterimol/L: 19.1885

Surface and Volume Properties
Accessible surface: 571.15	Positive charged surface: 215.791	Negative charged surface: 355.359	Volume: 291.125
Hydrophobic surface: 483.668	Hydrophilic surface: 87.482

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.