MMsINC Database Search


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MMsINC code: MMs01745947

Type: Neutral
Formula: C₂₀H₁₅ClO₃

SMILES:

Clc1cc(C(OC(c2ccccc2)c2ccccc2)=O)c(O)cc1

InChI:

InChI=1/C20H15ClO3/c21-16-11-12-18(22)17(13-16)20(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3128 kcal/mol

Physical Properties
Molecular Weight: 338.79 g/mol	logS: -5.67475	SlogP: 5.0875	Reactive groups: 0

Topological Properties
Globularity: 0.19164	Sterimol/B1: 2.27589	Sterimol/B2: 3.9325	Sterimol/B3: 4.49172
Sterimol/B4: 9.0808	Sterimol/L: 13.8369

Surface and Volume Properties
Accessible surface: 583.298	Positive charged surface: 275.515	Negative charged surface: 307.784	Volume: 315.75
Hydrophobic surface: 517.094	Hydrophilic surface: 66.204

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.