MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03522318

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1cc2c3c(ccc2cc1)c(c1c(cccc1)c3CO)C

InChI:

InChI=1/C20H15FO/c1-12-15-4-2-3-5-17(15)19(11-22)20-16(12)9-7-13-6-8-14(21)10-18(13)20/h2-10,22H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.366 kcal/mol

Physical Properties
Molecular Weight: 290.337 g/mol	logS: -7.55844	SlogP: 5.35242	Reactive groups: 0

Topological Properties
Globularity: 0.0302791	Sterimol/B1: 2.2013	Sterimol/B2: 2.54341	Sterimol/B3: 3.12452
Sterimol/B4: 8.3892	Sterimol/L: 14.3279

Surface and Volume Properties
Accessible surface: 486.619	Positive charged surface: 250.389	Negative charged surface: 207.935	Volume: 278.875
Hydrophobic surface: 437.916	Hydrophilic surface: 48.703

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.