MMsINC Database Search


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MMsINC code: MMs01737300

Type: Neutral
Formula: C₁₅H₉FO₃

SMILES:

Fc1ccccc1C1=COc2c(ccc(O)c2)C1=O

InChI:

InChI=1/C15H9FO3/c16-13-4-2-1-3-10(13)12-8-19-14-7-9(17)5-6-11(14)15(12)18/h1-8,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4052 kcal/mol

Physical Properties
Molecular Weight: 256.232 g/mol	logS: -4.19231	SlogP: 3.1475	Reactive groups: 1

Topological Properties
Globularity: 0.050544	Sterimol/B1: 2.16653	Sterimol/B2: 3.01938	Sterimol/B3: 4.09681
Sterimol/B4: 4.62656	Sterimol/L: 14.9205

Surface and Volume Properties
Accessible surface: 445.013	Positive charged surface: 224.717	Negative charged surface: 220.296	Volume: 226.75
Hydrophobic surface: 364.272	Hydrophilic surface: 80.741

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.