MMsINC Database Search


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MMsINC code: MMs01513922

Type: Neutral
Formula: C₁₇H₁₂FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)c1c2c([nH]c1)cccc2)=O

InChI:

InChI=1/C17H12FNO3/c18-14-7-3-1-6-12(14)17(21)22-10-16(20)13-9-19-15-8-4-2-5-11(13)15/h1-9,19H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4173 kcal/mol

Physical Properties
Molecular Weight: 297.285 g/mol	logS: -4.45074	SlogP: 3.3467	Reactive groups: 0

Topological Properties
Globularity: 0.00232865	Sterimol/B1: 2.37197	Sterimol/B2: 2.37815	Sterimol/B3: 2.54161
Sterimol/B4: 6.23436	Sterimol/L: 17.4379

Surface and Volume Properties
Accessible surface: 527.147	Positive charged surface: 268.577	Negative charged surface: 252.727	Volume: 270.375
Hydrophobic surface: 414.682	Hydrophilic surface: 112.465

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.