MMsINC Database Search


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

MMsINC code: MMs01329567

Type: Neutral
Formula: C₁₅H₁₃ClO₄

SMILES:

Clc1ccccc1OC(=O)c1ccc(OC)cc1OC

InChI:

InChI=1/C15H13ClO4/c1-18-10-7-8-11(14(9-10)19-2)15(17)20-13-6-4-3-5-12(13)16/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4889 kcal/mol

Physical Properties
Molecular Weight: 292.718 g/mol	logS: -4.33399	SlogP: 3.5764	Reactive groups: 0

Topological Properties
Globularity: 0.0649976	Sterimol/B1: 2.08275	Sterimol/B2: 3.70877	Sterimol/B3: 4.75655
Sterimol/B4: 7.7126	Sterimol/L: 16.0417

Surface and Volume Properties
Accessible surface: 520.564	Positive charged surface: 322.437	Negative charged surface: 198.127	Volume: 264.625
Hydrophobic surface: 486.222	Hydrophilic surface: 34.342

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.