MMsINC Database Search


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MMsINC code: MMs00056376

Type: Ionized
Formula: C₁₆H₉FNO₂-

SMILES:

Fc1ccccc1-c1nc2c(cccc2)c(c1)C(=O)[O-]

InChI:

InChI=1/C16H10FNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2355 kcal/mol

Physical Properties
Molecular Weight: 266.251 g/mol	logS: -4.89343	SlogP: 2.4044	Reactive groups: 0

Topological Properties
Globularity: 0.0442931	Sterimol/B1: 2.69538	Sterimol/B2: 3.28708	Sterimol/B3: 3.6102
Sterimol/B4: 6.50949	Sterimol/L: 14.2891

Surface and Volume Properties
Accessible surface: 460.202	Positive charged surface: 208.013	Negative charged surface: 244.643	Volume: 240.875
Hydrophobic surface: 362.794	Hydrophilic surface: 97.408

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:

MMs00056375
APOLLO-ZINC03883871