MMsINC Database Search


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MMsINC code: MMs02769152

Type: Neutral
Formula: C₁₈H₁₂F₃NO

SMILES:

FC(F)(F)c1ccccc1NC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H12F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.343 kcal/mol

Physical Properties
Molecular Weight: 315.294 g/mol	logS: -6.2893	SlogP: 5.4224	Reactive groups: 0

Topological Properties
Globularity: 0.0254243	Sterimol/B1: 2.91664	Sterimol/B2: 3.09545	Sterimol/B3: 3.20307
Sterimol/B4: 6.66757	Sterimol/L: 14.6103

Surface and Volume Properties
Accessible surface: 504.621	Positive charged surface: 210.903	Negative charged surface: 282.647	Volume: 275.375
Hydrophobic surface: 396.125	Hydrophilic surface: 108.496

Pharmacophoric Properties
Hydrogen bond donors: 1	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.