MMsINC Database Search


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MMsINC code: MMs00326398

Type: Neutral
Formula: C₁₆H₁₀FNO₃

SMILES:

Fc1ccc(cc1)-c1cc2n(C=CC=C2)c1C(=O)C(O)=O

InChI:

InChI=1/C16H10FNO3/c17-11-6-4-10(5-7-11)13-9-12-3-1-2-8-18(12)14(13)15(19)16(20)21/h1-9H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0697 kcal/mol

Physical Properties
Molecular Weight: 283.258 g/mol	logS: -3.95085	SlogP: 3.059	Reactive groups: 0

Topological Properties
Globularity: 0.0951268	Sterimol/B1: 3.27907	Sterimol/B2: 3.36061	Sterimol/B3: 3.72138
Sterimol/B4: 6.9416	Sterimol/L: 14.0898

Surface and Volume Properties
Accessible surface: 475.715	Positive charged surface: 219.145	Negative charged surface: 256.569	Volume: 251
Hydrophobic surface: 358.96	Hydrophilic surface: 116.755

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

MMs00326399
ASINEX-ZINC04344229