MMsINC Database Search


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MMsINC code: MMs00419016

Type: Ionized
Formula: C₁₀H₇FNO₂-

SMILES:

Fc1cc2n(ccc2cc1)CC(=O)[O-]

InChI:

InChI=1/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.4901 kcal/mol

Physical Properties
Molecular Weight: 192.169 g/mol	logS: -2.12006	SlogP: 0.7967	Reactive groups: 0

Topological Properties
Globularity: 0.0676291	Sterimol/B1: 2.93276	Sterimol/B2: 3.13497	Sterimol/B3: 3.84673
Sterimol/B4: 5.11091	Sterimol/L: 10.7941

Surface and Volume Properties
Accessible surface: 359.451	Positive charged surface: 152.907	Negative charged surface: 200.981	Volume: 168
Hydrophobic surface: 258.373	Hydrophilic surface: 101.078

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs00419015
ASINEX-ZINC04973398