MMsINC Database Search


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MMsINC code: MMs01652937

Type: Neutral
Formula: C₂₀H₁₄Cl₂O₂

SMILES:

Clc1ccc(Cl)cc1OC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H14Cl2O2/c21-16-11-12-17(22)18(13-16)24-20(23)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.005 kcal/mol

Physical Properties
Molecular Weight: 357.236 g/mol	logS: -6.67145	SlogP: 5.7309	Reactive groups: 0

Topological Properties
Globularity: 0.199795	Sterimol/B1: 2.20223	Sterimol/B2: 3.33152	Sterimol/B3: 5.50597
Sterimol/B4: 9.28084	Sterimol/L: 13.4742

Surface and Volume Properties
Accessible surface: 587.519	Positive charged surface: 250.592	Negative charged surface: 336.927	Volume: 320.875
Hydrophobic surface: 569.941	Hydrophilic surface: 17.578

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.