MMsINC Database Search


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MMsINC code: MMs02207345

Type: Neutral
Formula: C₂₃H₁₄Cl₂N₂O₂S

SMILES:

Clc1cc(cc(Cl)c1)C(=O)Nc1sc(C(=O)c2ccccc2)c(n1)-c1ccccc1

InChI:

InChI=1/C23H14Cl2N2O2S/c24-17-11-16(12-18(25)13-17)22(29)27-23-26-19(14-7-3-1-4-8-14)21(30-23)20(28)15-9-5-2-6-10-15/h1-13H,(H,26,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6541 kcal/mol

Physical Properties
Molecular Weight: 453.349 g/mol	logS: -8.91573	SlogP: 6.6002	Reactive groups: 0

Topological Properties
Globularity: 0.0686495	Sterimol/B1: 2.15472	Sterimol/B2: 4.21189	Sterimol/B3: 4.41716
Sterimol/B4: 8.66577	Sterimol/L: 17.8905

Surface and Volume Properties
Accessible surface: 688.459	Positive charged surface: 281.778	Negative charged surface: 406.682	Volume: 390.125
Hydrophobic surface: 601.967	Hydrophilic surface: 86.492

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.