MMsINC Database Search


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MMsINC code: MMs01525066

Type: Neutral
Formula: C₂₀H₁₁ClF₂O₃

SMILES:

Clc1cccc(F)c1C(Oc1ccc(cc1)C(=O)c1ccc(F)cc1)=O

InChI:

InChI=1/C20H11ClF2O3/c21-16-2-1-3-17(23)18(16)20(25)26-15-10-6-13(7-11-15)19(24)12-4-8-14(22)9-5-12/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.898 kcal/mol

Physical Properties
Molecular Weight: 372.754 g/mol	logS: -6.896	SlogP: 5.0684	Reactive groups: 0

Topological Properties
Globularity: 0.0251276	Sterimol/B1: 2.96855	Sterimol/B2: 3.50686	Sterimol/B3: 3.87545
Sterimol/B4: 5.50245	Sterimol/L: 18.4511

Surface and Volume Properties
Accessible surface: 583.391	Positive charged surface: 240.844	Negative charged surface: 342.547	Volume: 313.875
Hydrophobic surface: 518.233	Hydrophilic surface: 65.158

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.