MMsINC Database Search


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MMsINC code: MMs00808037

Type: Neutral
Formula: C₁₅H₁₂FNO₃

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H12FNO3/c16-12-5-1-10(2-6-12)9-14(18)17-13-7-3-11(4-8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8556 kcal/mol

Physical Properties
Molecular Weight: 273.263 g/mol	logS: -3.68072	SlogP: 2.70507	Reactive groups: 0

Topological Properties
Globularity: 0.0603577	Sterimol/B1: 2.47335	Sterimol/B2: 3.56631	Sterimol/B3: 4.69423
Sterimol/B4: 5.00169	Sterimol/L: 15.7743

Surface and Volume Properties
Accessible surface: 493.606	Positive charged surface: 273.987	Negative charged surface: 219.619	Volume: 247.25
Hydrophobic surface: 359.127	Hydrophilic surface: 134.479

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

MMs00808038
CHEMBRIDGE-ZINC04872460