MMsINC Database Search


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

MMsINC code: MMs01012759

Type: Ionized
Formula: C₁₄H₁₂FN₂O₄-

SMILES:

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

InChI:

InChI=1/C14H13FN2O4/c1-7(18)6-17-11-4-3-9(15)5-10(11)12(16-8(2)19)13(17)14(20)21/h3-5H,6H2,1-2H3,(H,16,19)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.3144 kcal/mol

Physical Properties
Molecular Weight: 291.258 g/mol	logS: -2.7947	SlogP: 0.9577	Reactive groups: 1

Topological Properties
Globularity: 0.0414881	Sterimol/B1: 3.03838	Sterimol/B2: 3.25228	Sterimol/B3: 3.32436
Sterimol/B4: 7.75519	Sterimol/L: 13.6898

Surface and Volume Properties
Accessible surface: 477.904	Positive charged surface: 243.722	Negative charged surface: 228.693	Volume: 249.75
Hydrophobic surface: 340.431	Hydrophilic surface: 137.473

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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:

MMs01012758
CHEMDIV-ZINC06749997