MMsINC Database Search


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MMsINC code: MMs02067651

Type: Neutral
Formula: C₂₀H₁₅F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1NC(=O)C1=CC=CN(Cc2ccccc2)C1=O

InChI:

InChI=1/C20H15F3N2O2/c21-20(22,23)16-10-4-5-11-17(16)24-18(26)15-9-6-12-25(19(15)27)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.184 kcal/mol

Physical Properties
Molecular Weight: 372.346 g/mol	logS: -5.41482	SlogP: 4.7043	Reactive groups: 0

Topological Properties
Globularity: 0.0501344	Sterimol/B1: 2.14008	Sterimol/B2: 2.71305	Sterimol/B3: 4.8301
Sterimol/B4: 8.1148	Sterimol/L: 16.3684

Surface and Volume Properties
Accessible surface: 570.59	Positive charged surface: 275.843	Negative charged surface: 294.747	Volume: 322.625
Hydrophobic surface: 438.036	Hydrophilic surface: 132.554

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.