MMsINC Database Search


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MMsINC code: MMs01225840

Type: Neutral
Formula: C₁₆H₁₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C16H10FNO3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1129 kcal/mol

Physical Properties
Molecular Weight: 283.258 g/mol	logS: -4.32896	SlogP: 2.3046	Reactive groups: 0

Topological Properties
Globularity: 0.073332	Sterimol/B1: 3.24768	Sterimol/B2: 3.55462	Sterimol/B3: 3.77933
Sterimol/B4: 4.74211	Sterimol/L: 16.1839

Surface and Volume Properties
Accessible surface: 489.708	Positive charged surface: 234.186	Negative charged surface: 255.521	Volume: 249.375
Hydrophobic surface: 382.729	Hydrophilic surface: 106.979

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.