MMsINC Database Search


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

MMsINC code: MMs02704450

Type: Neutral
Formula: C₁₄H₁₂FNO₄

SMILES:

Fc1ccc(cc1)COC(=O)CNC(=O)c1occc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4016 kcal/mol

Physical Properties
Molecular Weight: 277.251 g/mol	logS: -3.75363	SlogP: 2.1583	Reactive groups: 1

Topological Properties
Globularity: 0.0392906	Sterimol/B1: 3.62006	Sterimol/B2: 3.62044	Sterimol/B3: 3.64768
Sterimol/B4: 3.90158	Sterimol/L: 18.5363

Surface and Volume Properties
Accessible surface: 521.982	Positive charged surface: 275.532	Negative charged surface: 246.45	Volume: 246.25
Hydrophobic surface: 409.411	Hydrophilic surface: 112.571

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.