MMsINC Database Search


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

MMsINC code: MMs01367585

Type: Neutral
Formula: C₁₄H₁₂FNO₄

SMILES:

Fc1cc(ccc1)C(OCC(=O)NCc1occc1)=O

InChI:

InChI=1/C14H12FNO4/c15-11-4-1-3-10(7-11)14(18)20-9-13(17)16-8-12-5-2-6-19-12/h1-7H,8-9H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8788 kcal/mol

Physical Properties
Molecular Weight: 277.251 g/mol	logS: -3.75363	SlogP: 2.1583	Reactive groups: 0

Topological Properties
Globularity: 0.0205023	Sterimol/B1: 3.04926	Sterimol/B2: 3.13384	Sterimol/B3: 3.42654
Sterimol/B4: 5.06576	Sterimol/L: 17.8059

Surface and Volume Properties
Accessible surface: 521.551	Positive charged surface: 271.196	Negative charged surface: 250.355	Volume: 248
Hydrophobic surface: 412.73	Hydrophilic surface: 108.821

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