MMsINC Database Search


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

MMsINC code: MMs00520757

Type: Neutral
Formula: C₁₇H₁₄FN₃O₄

SMILES:

Fc1ccc(cc1)-c1c2c(nc(c1)C(OC)=O)N(C)C(=O)N(C)C2=O

InChI:

InChI=1/C17H14FN3O4/c1-20-14-13(15(22)21(2)17(20)24)11(8-12(19-14)16(23)25-3)9-4-6-10(18)7-5-9/h4-8H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1959 kcal/mol

Physical Properties
Molecular Weight: 343.314 g/mol	logS: -4.03505	SlogP: 2.3161	Reactive groups: 0

Topological Properties
Globularity: 0.0475747	Sterimol/B1: 2.91947	Sterimol/B2: 3.05808	Sterimol/B3: 3.21867
Sterimol/B4: 8.64653	Sterimol/L: 14.9132

Surface and Volume Properties
Accessible surface: 557.735	Positive charged surface: 388.904	Negative charged surface: 165.191	Volume: 296.375
Hydrophobic surface: 445.565	Hydrophilic surface: 112.17

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	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:

Ions/Tautomers related molecules: no related molecules available.