MMsINC Database Search


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MMsINC code: MMs00609757

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1ccc(cc1)COc1cc(ccc1)CNc1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0359 kcal/mol

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

Topological Properties
Globularity: 0.0575823	Sterimol/B1: 2.4816	Sterimol/B2: 3.15751	Sterimol/B3: 4.31028
Sterimol/B4: 7.70684	Sterimol/L: 19.0887

Surface and Volume Properties
Accessible surface: 613.072	Positive charged surface: 347.152	Negative charged surface: 265.92	Volume: 314.25
Hydrophobic surface: 533.15	Hydrophilic surface: 79.922

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.