MMsINC Database Search


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

MMsINC code: MMs02933533

Type: Neutral
Formula: C₁₈H₁₃FN₂O₄

SMILES:

Fc1ccccc1CN1C(=O)/C(/NC1=O)=C/c1ccc(cc1)C(O)=O

InChI:

InChI=1/C18H13FN2O4/c19-14-4-2-1-3-13(14)10-21-16(22)15(20-18(21)25)9-11-5-7-12(8-6-11)17(23)24/h1-9H,10H2,(H,20,25)(H,23,24)/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0968 kcal/mol

Physical Properties
Molecular Weight: 340.31 g/mol	logS: -4.40604	SlogP: 2.8832	Reactive groups: 0

Topological Properties
Globularity: 0.0609048	Sterimol/B1: 2.49975	Sterimol/B2: 2.96391	Sterimol/B3: 3.982
Sterimol/B4: 7.86186	Sterimol/L: 15.3398

Surface and Volume Properties
Accessible surface: 553.464	Positive charged surface: 312.46	Negative charged surface: 241.004	Volume: 295.75
Hydrophobic surface: 362.332	Hydrophilic surface: 191.132

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02933534
PUBCHEM-ZINC02833569