MMsINC Database Search


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MMsINC code: MMs02997839

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)NC(C)c1ccc(OC)cc1

InChI:

InChI=1/C20H18FNO2/c1-13(14-7-9-15(24-2)10-8-14)22-20(23)18-11-12-19(21)17-6-4-3-5-16(17)18/h3-13H,1-2H3,(H,22,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4121 kcal/mol

Physical Properties
Molecular Weight: 323.367 g/mol	logS: -5.84936	SlogP: 4.574	Reactive groups: 0

Topological Properties
Globularity: 0.0383751	Sterimol/B1: 2.25771	Sterimol/B2: 2.29274	Sterimol/B3: 4.89932
Sterimol/B4: 7.46126	Sterimol/L: 17.8843

Surface and Volume Properties
Accessible surface: 577.287	Positive charged surface: 329.575	Negative charged surface: 237.455	Volume: 311.75
Hydrophobic surface: 522.595	Hydrophilic surface: 54.692

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.