MMsINC Database Search


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MMsINC code: MMs03143987

Type: Neutral
Formula: C₁₇H₁₂FNO₃

SMILES:

Fc1ccccc1Cn1c2c(cccc2)c(C=O)c1C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.18 kcal/mol

Physical Properties
Molecular Weight: 297.285 g/mol	logS: -3.7601	SlogP: 3.6058	Reactive groups: 1

Topological Properties
Globularity: 0.144361	Sterimol/B1: 2.66484	Sterimol/B2: 4.47606	Sterimol/B3: 5.07532
Sterimol/B4: 5.48007	Sterimol/L: 12.2197

Surface and Volume Properties
Accessible surface: 474.348	Positive charged surface: 261.005	Negative charged surface: 207.692	Volume: 265.75
Hydrophobic surface: 339.723	Hydrophilic surface: 134.625

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

MMs03143988
PUBCHEM-ZINC04636233