MMsINC Database Search


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MMsINC code: MMs02110468

Type: Neutral
Formula: C₂₁H₁₇F₄NO₂

SMILES:

Fc1ccc(cc1)COc1ccc(cc1)CNc1ccc(OC(F)(F)F)cc1

InChI:

InChI=1/C21H17F4NO2/c22-17-5-1-16(2-6-17)14-27-19-9-3-15(4-10-19)13-26-18-7-11-20(12-8-18)28-21(23,24)25/h1-12,26H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4749 kcal/mol

Physical Properties
Molecular Weight: 391.364 g/mol	logS: -6.25183	SlogP: 6.8681	Reactive groups: 0

Topological Properties
Globularity: 0.0243139	Sterimol/B1: 2.55286	Sterimol/B2: 2.85276	Sterimol/B3: 4.84294
Sterimol/B4: 5.01506	Sterimol/L: 23.0274

Surface and Volume Properties
Accessible surface: 658.368	Positive charged surface: 312.316	Negative charged surface: 346.051	Volume: 341.25
Hydrophobic surface: 512.334	Hydrophilic surface: 146.034

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.