MMsINC Database Search


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MMsINC code: MMs02227635

Type: Neutral
Formula: C₂₃H₁₉FO₂

SMILES:

Fc1ccc(cc1)CCCOc1cc(O)c2c(c1)ccc1c2cccc1

InChI:

InChI=1/C23H19FO2/c24-19-11-7-16(8-12-19)4-3-13-26-20-14-18-10-9-17-5-1-2-6-21(17)23(18)22(25)15-20/h1-2,5-12,14-15,25H,3-4,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.887 kcal/mol

Physical Properties
Molecular Weight: 346.401 g/mol	logS: -7.15519	SlogP: 5.84927	Reactive groups: 0

Topological Properties
Globularity: 0.0243574	Sterimol/B1: 3.56589	Sterimol/B2: 3.57553	Sterimol/B3: 3.69181
Sterimol/B4: 5.60377	Sterimol/L: 20.877

Surface and Volume Properties
Accessible surface: 625.977	Positive charged surface: 330.784	Negative charged surface: 273.051	Volume: 336.375
Hydrophobic surface: 584.257	Hydrophilic surface: 41.72

Pharmacophoric Properties
Hydrogen bond donors: 1	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.