MMsINC Database Search


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

MMsINC code: MMs03346514

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂S₂

SMILES:

Clc1sc(Cl)cc1-c1nc(SCc2ccccc2)ncc1

InChI:

InChI=1/C15H10Cl2N2S2/c16-13-8-11(14(17)21-13)12-6-7-18-15(19-12)20-9-10-4-2-1-3-5-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2991 kcal/mol

Physical Properties
Molecular Weight: 353.297 g/mol	logS: -7.81881	SlogP: 6.0706	Reactive groups: 0

Topological Properties
Globularity: 0.0434146	Sterimol/B1: 3.61237	Sterimol/B2: 3.66459	Sterimol/B3: 4.3821
Sterimol/B4: 5.45988	Sterimol/L: 18.7679

Surface and Volume Properties
Accessible surface: 568.364	Positive charged surface: 233.85	Negative charged surface: 334.514	Volume: 293.75
Hydrophobic surface: 510.599	Hydrophilic surface: 57.765

Pharmacophoric Properties
Hydrogen bond donors: 0	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.