MMsINC Database Search


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MMsINC code: MMs00790541

Type: Neutral
Formula: C₁₇H₁₂F₂N₂O₂

SMILES:

Fc1cc(NC(=O)c2c(noc2C)-c2ccccc2)cc(F)c1

InChI:

InChI=1/C17H12F2N2O2/c1-10-15(16(21-23-10)11-5-3-2-4-6-11)17(22)20-14-8-12(18)7-13(19)9-14/h2-9H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6636 kcal/mol

Physical Properties
Molecular Weight: 314.291 g/mol	logS: -5.29975	SlogP: 4.18052	Reactive groups: 0

Topological Properties
Globularity: 0.0824961	Sterimol/B1: 2.457	Sterimol/B2: 3.03241	Sterimol/B3: 3.9116
Sterimol/B4: 9.34825	Sterimol/L: 14.036

Surface and Volume Properties
Accessible surface: 526.634	Positive charged surface: 232.687	Negative charged surface: 293.947	Volume: 276.25
Hydrophobic surface: 464.197	Hydrophilic surface: 62.437

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.