MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02972150

Type: Neutral
Formula: C₂₀H₁₄Cl₂N₂O₂S

SMILES:

Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C20H14Cl2N2O2S/c21-14-3-1-13(2-4-14)19(25)24-20(27)23-16-7-11-18(12-8-16)26-17-9-5-15(22)6-10-17/h1-12H,(H2,23,24,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.927 kcal/mol

Physical Properties
Molecular Weight: 417.316 g/mol	logS: -8.06965	SlogP: 5.9125	Reactive groups: 0

Topological Properties
Globularity: 0.0379585	Sterimol/B1: 3.48349	Sterimol/B2: 3.67663	Sterimol/B3: 4.06385
Sterimol/B4: 5.53852	Sterimol/L: 21.5197

Surface and Volume Properties
Accessible surface: 664.717	Positive charged surface: 281.051	Negative charged surface: 383.667	Volume: 358.875
Hydrophobic surface: 557.167	Hydrophilic surface: 107.55

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.