MMsINC Database Search


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

MMsINC code: MMs02162528

Type: Neutral
Formula: C₁₁H₇ClOS

SMILES:

ClC(=O)c1ccccc1-c1sccc1

InChI:

InChI=1/C11H7ClOS/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1673 kcal/mol

Physical Properties
Molecular Weight: 222.695 g/mol	logS: -4.55996	SlogP: 3.7941	Reactive groups: 1

Topological Properties
Globularity: 0.0529363	Sterimol/B1: 2.44887	Sterimol/B2: 3.11191	Sterimol/B3: 3.26097
Sterimol/B4: 7.28305	Sterimol/L: 11.6888

Surface and Volume Properties
Accessible surface: 394.466	Positive charged surface: 152.776	Negative charged surface: 241.69	Volume: 192.875
Hydrophobic surface: 303.873	Hydrophilic surface: 90.593

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.