MMsINC Database Search


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MMsINC code: MMs02113283

Type: Neutral
Formula: C₂₁H₁₉F₂NO

SMILES:

Fc1ccc(cc1)C(O)(CNCc1ccccc1)c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.664 kcal/mol

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

Topological Properties
Globularity: 0.137742	Sterimol/B1: 3.35709	Sterimol/B2: 3.81785	Sterimol/B3: 4.31361
Sterimol/B4: 6.84171	Sterimol/L: 16.4849

Surface and Volume Properties
Accessible surface: 593	Positive charged surface: 314.551	Negative charged surface: 278.449	Volume: 327.75
Hydrophobic surface: 552.274	Hydrophilic surface: 40.726

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.