MMsINC Database Search


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MMsINC code: MMs00064308

Type: Neutral
Formula: C₂₀H₁₁FO₄

SMILES:

Fc1ccc(cc1)C(Oc1cc2OC(=O)c3c(-c2cc1)cccc3)=O

InChI:

InChI=1/C20H11FO4/c21-13-7-5-12(6-8-13)19(22)24-14-9-10-16-15-3-1-2-4-17(15)20(23)25-18(16)11-14/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.833 kcal/mol

Physical Properties
Molecular Weight: 334.302 g/mol	logS: -7.1006	SlogP: 4.2445	Reactive groups: 0

Topological Properties
Globularity: 0.0384403	Sterimol/B1: 2.88533	Sterimol/B2: 3.25154	Sterimol/B3: 4.03386
Sterimol/B4: 6.0247	Sterimol/L: 18.6669

Surface and Volume Properties
Accessible surface: 552.518	Positive charged surface: 258.829	Negative charged surface: 282.996	Volume: 294.625
Hydrophobic surface: 463.519	Hydrophilic surface: 88.999

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

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Ions/Tautomers related molecules: no related molecules available.