MMsINC Database Search


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MMsINC code: MMs00531535

Type: Neutral
Formula: C₁₀H₆FNO₃

SMILES:

Fc1cc2c(N(C(=O)C)C(=O)C2=O)cc1

InChI:

InChI=1/C10H6FNO3/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(12)15/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1877 kcal/mol

Physical Properties
Molecular Weight: 207.16 g/mol	logS: -2.62438	SlogP: 0.9015	Reactive groups: 0

Topological Properties
Globularity: 0.0119848	Sterimol/B1: 2.37453	Sterimol/B2: 2.37558	Sterimol/B3: 3.41061
Sterimol/B4: 5.47147	Sterimol/L: 11.539

Surface and Volume Properties
Accessible surface: 358.863	Positive charged surface: 168.989	Negative charged surface: 189.874	Volume: 168.875
Hydrophobic surface: 237.722	Hydrophilic surface: 121.141

Pharmacophoric Properties
Hydrogen bond donors: 0	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.