MMsINC Database Search


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MMsINC code: MMs03522300

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1c2c(c3c(c1)c(c1c(cccc1)c3CO)C)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.358 kcal/mol

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

Topological Properties
Globularity: 0.0297064	Sterimol/B1: 2.19184	Sterimol/B2: 2.54328	Sterimol/B3: 3.11336
Sterimol/B4: 8.42537	Sterimol/L: 14.3256

Surface and Volume Properties
Accessible surface: 484.467	Positive charged surface: 251.455	Negative charged surface: 204.162	Volume: 278.625
Hydrophobic surface: 435.171	Hydrophilic surface: 49.296

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

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Ions/Tautomers related molecules: no related molecules available.