MMsINC Database Search


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MMsINC code: MMs00849634

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1ccccc1COc1ccccc1CNc1ccc(O)cc1

InChI:

InChI=1/C20H18FNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1786 kcal/mol

Physical Properties
Molecular Weight: 323.367 g/mol	logS: -4.70055	SlogP: 5.2552	Reactive groups: 0

Topological Properties
Globularity: 0.0835543	Sterimol/B1: 2.56068	Sterimol/B2: 3.46325	Sterimol/B3: 3.92629
Sterimol/B4: 11.5001	Sterimol/L: 14.739

Surface and Volume Properties
Accessible surface: 587.431	Positive charged surface: 327.101	Negative charged surface: 260.329	Volume: 313.25
Hydrophobic surface: 514.875	Hydrophilic surface: 72.556

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.