MMsINC Database Search


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MMsINC code: MMs03251476

Type: Neutral
Formula: C₁₅H₁₂F₂N₂O₂

SMILES:

Fc1cc(NC(=O)c2ccccc2NC(=O)C)ccc1F

InChI:

InChI=1/C15H12F2N2O2/c1-9(20)18-14-5-3-2-4-11(14)15(21)19-10-6-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7976 kcal/mol

Physical Properties
Molecular Weight: 290.269 g/mol	logS: -4.15428	SlogP: 3.1755	Reactive groups: 0

Topological Properties
Globularity: 0.0160462	Sterimol/B1: 1.969	Sterimol/B2: 2.56381	Sterimol/B3: 2.72224
Sterimol/B4: 8.92692	Sterimol/L: 13.6494

Surface and Volume Properties
Accessible surface: 500.985	Positive charged surface: 260.651	Negative charged surface: 240.334	Volume: 250.625
Hydrophobic surface: 433.418	Hydrophilic surface: 67.567

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.