MMsINC Database Search


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MMsINC code: MMs02132576

Type: Neutral
Formula: C₁₆H₁₀F₂N₂O₂

SMILES:

Fc1cc(F)ccc1C(=O)Nc1ccc(cc1)-c1ocnc1

InChI:

InChI=1/C16H10F2N2O2/c17-11-3-6-13(14(18)7-11)16(21)20-12-4-1-10(2-5-12)15-8-19-9-22-15/h1-9H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3363 kcal/mol

Physical Properties
Molecular Weight: 300.264 g/mol	logS: -5.15454	SlogP: 3.8721	Reactive groups: 0

Topological Properties
Globularity: 0.0107738	Sterimol/B1: 2.12531	Sterimol/B2: 2.95554	Sterimol/B3: 2.99303
Sterimol/B4: 4.90686	Sterimol/L: 17.7092

Surface and Volume Properties
Accessible surface: 508.096	Positive charged surface: 281.546	Negative charged surface: 226.55	Volume: 258.875
Hydrophobic surface: 404.243	Hydrophilic surface: 103.853

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.