MMsINC Database Search


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

MMsINC code: MMs01229480

Type: Neutral
Formula: C₁₇H₁₅FN₂O₄

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)CCC(O)=O)cc1

InChI:

InChI=1/C17H15FN2O4/c18-11-5-7-12(8-6-11)19-17(24)13-3-1-2-4-14(13)20-15(21)9-10-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2774 kcal/mol

Physical Properties
Molecular Weight: 330.315 g/mol	logS: -3.61162	SlogP: 2.8813	Reactive groups: 0

Topological Properties
Globularity: 0.0176247	Sterimol/B1: 2.43833	Sterimol/B2: 2.55649	Sterimol/B3: 3.12467
Sterimol/B4: 9.57989	Sterimol/L: 16.4722

Surface and Volume Properties
Accessible surface: 566.773	Positive charged surface: 318.936	Negative charged surface: 247.838	Volume: 292.125
Hydrophobic surface: 407.797	Hydrophilic surface: 158.976

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01229481
ENAMINE-ZINC00386864