MMsINC Database Search


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MMsINC code: MMs00850591

Type: Neutral
Formula: C₁₇H₁₂F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)c1noc(c1)-c1ccccc1OC

InChI:

InChI=1/C17H12F2N2O3/c1-23-15-5-3-2-4-11(15)16-9-14(21-24-16)17(22)20-13-7-6-10(18)8-12(13)19/h2-9H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9876 kcal/mol

Physical Properties
Molecular Weight: 330.29 g/mol	logS: -5.18966	SlogP: 3.8807	Reactive groups: 0

Topological Properties
Globularity: 0.0158492	Sterimol/B1: 2.43857	Sterimol/B2: 2.47572	Sterimol/B3: 3.58371
Sterimol/B4: 7.41601	Sterimol/L: 17.9806

Surface and Volume Properties
Accessible surface: 551.619	Positive charged surface: 301.658	Negative charged surface: 249.962	Volume: 283.25
Hydrophobic surface: 474.223	Hydrophilic surface: 77.396

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.