MMsINC Database Search


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MMsINC code: MMs03778851

Type: Ionized
Formula: C₁₅H₁₃FNO₃-

SMILES:

Fc1ccccc1C(=O)c1c(C(=O)[O-])c(n(C)c1C)C

InChI:

InChI=1/C15H14FNO3/c1-8-12(13(15(19)20)9(2)17(8)3)14(18)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.804 kcal/mol

Physical Properties
Molecular Weight: 274.271 g/mol	logS: -2.94653	SlogP: 1.73474	Reactive groups: 0

Topological Properties
Globularity: 0.120347	Sterimol/B1: 2.10458	Sterimol/B2: 3.80572	Sterimol/B3: 3.93147
Sterimol/B4: 7.50288	Sterimol/L: 12.9613

Surface and Volume Properties
Accessible surface: 465.219	Positive charged surface: 254.729	Negative charged surface: 210.49	Volume: 253.875
Hydrophobic surface: 365.772	Hydrophilic surface: 99.447

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03778850
PUBCHEM-ZINC06520392