MMsINC Database Search


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MMsINC code: MMs00067882

Type: Ionized
Formula: C₁₁H₇FNO₂-

SMILES:

Fc1cc2c(nc(cc2C(=O)[O-])C)cc1

InChI:

InChI=1/C11H8FNO2/c1-6-4-9(11(14)15)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4573 kcal/mol

Physical Properties
Molecular Weight: 204.18 g/mol	logS: -2.81164	SlogP: 1.04582	Reactive groups: 0

Topological Properties
Globularity: 0.019711	Sterimol/B1: 2.47065	Sterimol/B2: 2.50816	Sterimol/B3: 3.27998
Sterimol/B4: 6.44075	Sterimol/L: 11.1498

Surface and Volume Properties
Accessible surface: 377.009	Positive charged surface: 170.346	Negative charged surface: 201.493	Volume: 178.5
Hydrophobic surface: 278.438	Hydrophilic surface: 98.571

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:

MMs00067881
ASINEX-ZINC00064901