MMsINC Database Search


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MMsINC code: MMs02122210

Type: Neutral
Formula: C₂₁H₁₉F₂NO

SMILES:

Fc1ccc(cc1)C(O)(CNCc1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C21H19F2NO/c22-19-10-6-16(7-11-19)14-24-15-21(25,17-4-2-1-3-5-17)18-8-12-20(23)13-9-18/h1-13,24-25H,14-15H2/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.722 kcal/mol

Physical Properties
Molecular Weight: 339.385 g/mol	logS: -5.0486	SlogP: 4.5684	Reactive groups: 0

Topological Properties
Globularity: 0.134808	Sterimol/B1: 2.53869	Sterimol/B2: 3.67196	Sterimol/B3: 3.95664
Sterimol/B4: 7.85971	Sterimol/L: 16.7557

Surface and Volume Properties
Accessible surface: 587.861	Positive charged surface: 311.048	Negative charged surface: 276.813	Volume: 327.375
Hydrophobic surface: 547.188	Hydrophilic surface: 40.673

Pharmacophoric Properties
Hydrogen bond donors: 2	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.