MMsINC Database Search


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

MMsINC code: MMs02572688

Type: Neutral
Formula: C₁₅H₁₃ClO₃

SMILES:

Clc1ccccc1COC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C15H13ClO3/c1-18-13-8-6-11(7-9-13)15(17)19-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7995 kcal/mol

Physical Properties
Molecular Weight: 276.719 g/mol	logS: -4.31918	SlogP: 3.972	Reactive groups: 0

Topological Properties
Globularity: 0.00638124	Sterimol/B1: 2.37618	Sterimol/B2: 2.37866	Sterimol/B3: 2.85751
Sterimol/B4: 6.3216	Sterimol/L: 16.1852

Surface and Volume Properties
Accessible surface: 506.516	Positive charged surface: 271.541	Negative charged surface: 234.975	Volume: 258.25
Hydrophobic surface: 456.688	Hydrophilic surface: 49.828

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.