MMsINC Database Search


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MMsINC code: MMs03133343

Type: Neutral
Formula: C₂₃H₁₇F₃N₂

SMILES:

FC(F)(F)c1cc(ccc1)C(n1ccnc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H17F3N2/c24-23(25,26)21-13-7-12-20(16-21)22(28-15-14-27-17-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.931 kcal/mol

Physical Properties
Molecular Weight: 378.397 g/mol	logS: -6.24336	SlogP: 6.3651	Reactive groups: 0

Topological Properties
Globularity: 0.477561	Sterimol/B1: 2.58221	Sterimol/B2: 3.45812	Sterimol/B3: 7.09172
Sterimol/B4: 8.62656	Sterimol/L: 13.143

Surface and Volume Properties
Accessible surface: 568.869	Positive charged surface: 281.858	Negative charged surface: 287.011	Volume: 342.625
Hydrophobic surface: 444.843	Hydrophilic surface: 124.026

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.