MMsINC Database Search


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MMsINC code: MMs00511729

Type: Neutral
Formula: C₁₅H₉FO₂

SMILES:

Fc1ccc(cc1)C1=Cc2c(OC1=O)cccc2

InChI:

InChI=1/C15H9FO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7362 kcal/mol

Physical Properties
Molecular Weight: 240.233 g/mol	logS: -4.84347	SlogP: 3.2853	Reactive groups: 0

Topological Properties
Globularity: 0.0486895	Sterimol/B1: 2.60792	Sterimol/B2: 2.76756	Sterimol/B3: 3.62394
Sterimol/B4: 4.9852	Sterimol/L: 14.5853

Surface and Volume Properties
Accessible surface: 442.313	Positive charged surface: 209.865	Negative charged surface: 232.448	Volume: 218.5
Hydrophobic surface: 388.413	Hydrophilic surface: 53.9

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.