MMsINC Database Search


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MMsINC code: MMs03456756

Type: Neutral
Formula: C₁₅H₁₀FNO

SMILES:

Fc1ccccc1C(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C15H10FNO/c16-13-7-3-1-6-11(13)15(18)12-9-17-14-8-4-2-5-10(12)14/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.504 kcal/mol

Physical Properties
Molecular Weight: 239.249 g/mol	logS: -4.04257	SlogP: 3.538	Reactive groups: 0

Topological Properties
Globularity: 0.0751529	Sterimol/B1: 2.66293	Sterimol/B2: 3.53579	Sterimol/B3: 3.65732
Sterimol/B4: 5.43686	Sterimol/L: 14.4277

Surface and Volume Properties
Accessible surface: 440.179	Positive charged surface: 215.419	Negative charged surface: 218.981	Volume: 223.875
Hydrophobic surface: 370.224	Hydrophilic surface: 69.955

Pharmacophoric Properties
Hydrogen bond donors: 1	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.