MMsINC Database Search


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MMsINC code: MMs00056528

Type: Neutral
Formula: C₁₀H₆FNO₃

SMILES:

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

InChI:

InChI=1/C10H6FNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.0411 kcal/mol

Physical Properties
Molecular Weight: 207.16 g/mol	logS: -2.20807	SlogP: 1.4024	Reactive groups: 1

Topological Properties
Globularity: 1.5764e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09807	Sterimol/B3: 3.81875
Sterimol/B4: 4.25838	Sterimol/L: 11.742

Surface and Volume Properties
Accessible surface: 358.228	Positive charged surface: 181.599	Negative charged surface: 176.629	Volume: 169.75
Hydrophobic surface: 211.253	Hydrophilic surface: 146.975

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00056529
APOLLO-ZINC03884504