MMsINC Database Search


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MMsINC code: MMs01227864

Type: Neutral
Formula: C₁₅H₈F₂N₂O₃

SMILES:

Fc1cccc(F)c1C(=O)Nc1c2c(ccc1)C(=O)NC2=O

InChI:

InChI=1/C15H8F2N2O3/c16-8-4-2-5-9(17)12(8)15(22)18-10-6-1-3-7-11(10)14(21)19-13(7)20/h1-6H,(H,18,22)(H,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3815 kcal/mol

Physical Properties
Molecular Weight: 302.236 g/mol	logS: -4.60067	SlogP: 2.1007	Reactive groups: 0

Topological Properties
Globularity: 0.0569822	Sterimol/B1: 2.5337	Sterimol/B2: 3.32342	Sterimol/B3: 3.65225
Sterimol/B4: 6.70859	Sterimol/L: 15.0654

Surface and Volume Properties
Accessible surface: 477.491	Positive charged surface: 226.164	Negative charged surface: 251.327	Volume: 244.5
Hydrophobic surface: 318.754	Hydrophilic surface: 158.737

Pharmacophoric Properties
Hydrogen bond donors: 2	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.