MMsINC Database Search


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

MMsINC code: MMs01415039

Type: Neutral
Formula: C₁₉H₁₆FNO₇

SMILES:

Fc1ccccc1C(OCC(=O)Nc1cc(cc(c1)C(OC)=O)C(OC)=O)=O

InChI:

InChI=1/C19H16FNO7/c1-26-17(23)11-7-12(18(24)27-2)9-13(8-11)21-16(22)10-28-19(25)14-5-3-4-6-15(14)20/h3-9H,10H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7049 kcal/mol

Physical Properties
Molecular Weight: 389.335 g/mol	logS: -4.82148	SlogP: 2.1944	Reactive groups: 0

Topological Properties
Globularity: 0.0230796	Sterimol/B1: 1.969	Sterimol/B2: 2.88104	Sterimol/B3: 3.71035
Sterimol/B4: 9.4229	Sterimol/L: 20.2878

Surface and Volume Properties
Accessible surface: 665.907	Positive charged surface: 429.243	Negative charged surface: 236.664	Volume: 337.5
Hydrophobic surface: 502.641	Hydrophilic surface: 163.266

Pharmacophoric Properties
Hydrogen bond donors: 1	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.