MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00362362

Type: Ionized
Formula: C₁₁H₈FN₂O₃-

SMILES:

Fc1cc2c([nH]c(C(=O)[O-])c2NC(=O)C)cc1

InChI:

InChI=1/C11H9FN2O3/c1-5(15)13-9-7-4-6(12)2-3-8(7)14-10(9)11(16)17/h2-4,14H,1H3,(H,13,15)(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.09002 kcal/mol

Physical Properties
Molecular Weight: 235.194 g/mol	logS: -2.56198	SlogP: 0.6289	Reactive groups: 0

Topological Properties
Globularity: 0.00901238	Sterimol/B1: 2.3769	Sterimol/B2: 2.38031	Sterimol/B3: 3.48554
Sterimol/B4: 7.02759	Sterimol/L: 11.8937

Surface and Volume Properties
Accessible surface: 404.79	Positive charged surface: 190.73	Negative charged surface: 208.665	Volume: 197.125
Hydrophobic surface: 260.332	Hydrophilic surface: 144.458

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs00362361
ASINEX-ZINC04712907