MMsINC Database Search


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MMsINC code: MMs02148134

Type: Neutral
Formula: C₂₁H₁₅F₃N₂O₂

SMILES:

FC(F)(F)c1cc(NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C21H15F3N2O2/c22-21(23,24)15-9-6-10-16(13-15)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h1-13H,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.116 kcal/mol

Physical Properties
Molecular Weight: 384.357 g/mol	logS: -6.38141	SlogP: 5.5215	Reactive groups: 0

Topological Properties
Globularity: 0.0326221	Sterimol/B1: 2.46353	Sterimol/B2: 2.59207	Sterimol/B3: 4.09087
Sterimol/B4: 10.5028	Sterimol/L: 15.7926

Surface and Volume Properties
Accessible surface: 609.333	Positive charged surface: 277.452	Negative charged surface: 331.881	Volume: 337.25
Hydrophobic surface: 455.127	Hydrophilic surface: 154.206

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.