MMsINC Database Search


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

MMsINC code: MMs00584244

Type: Neutral
Formula: C₁₄H₁₁ClO₃

SMILES:

Clc1ccccc1OC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C14H11ClO3/c1-17-11-8-6-10(7-9-11)14(16)18-13-5-3-2-4-12(13)15/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2426 kcal/mol

Physical Properties
Molecular Weight: 262.692 g/mol	logS: -4.28361	SlogP: 3.5678	Reactive groups: 0

Topological Properties
Globularity: 0.0614915	Sterimol/B1: 2.28497	Sterimol/B2: 3.66943	Sterimol/B3: 4.44185
Sterimol/B4: 4.8945	Sterimol/L: 16.1522

Surface and Volume Properties
Accessible surface: 483.306	Positive charged surface: 260.226	Negative charged surface: 223.08	Volume: 238.375
Hydrophobic surface: 448.149	Hydrophilic surface: 35.157

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.