MMsINC Database Search


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MMsINC code: MMs01616178

Type: Neutral
Formula: C₂₂H₂₀FNO₂

SMILES:

Fc1ccc(OC(C(=O)NC(c2ccccc2)c2ccccc2)C)cc1

InChI:

InChI=1/C22H20FNO2/c1-16(26-20-14-12-19(23)13-15-20)22(25)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,24,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8869 kcal/mol

Physical Properties
Molecular Weight: 349.405 g/mol	logS: -5.76582	SlogP: 4.5943	Reactive groups: 0

Topological Properties
Globularity: 0.116077	Sterimol/B1: 2.51431	Sterimol/B2: 5.17163	Sterimol/B3: 5.44775
Sterimol/B4: 6.46419	Sterimol/L: 16.0262

Surface and Volume Properties
Accessible surface: 623.162	Positive charged surface: 329.247	Negative charged surface: 293.916	Volume: 343.5
Hydrophobic surface: 566.736	Hydrophilic surface: 56.426

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.