MMsINC Database Search


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MMsINC code: MMs02100959

Type: Neutral
Formula: C₂₀H₁₆FNO₅

SMILES:

Fc1c2ncc(C(OCC)=O)c(Oc3ccccc3C(OC)=O)c2ccc1

InChI:

InChI=1/C20H16FNO5/c1-3-26-20(24)14-11-22-17-13(8-6-9-15(17)21)18(14)27-16-10-5-4-7-12(16)19(23)25-2/h4-11H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.145 kcal/mol

Physical Properties
Molecular Weight: 369.348 g/mol	logS: -5.14178	SlogP: 4.1295	Reactive groups: 0

Topological Properties
Globularity: 0.263629	Sterimol/B1: 2.5744	Sterimol/B2: 3.98215	Sterimol/B3: 5.56347
Sterimol/B4: 11.2719	Sterimol/L: 13.6616

Surface and Volume Properties
Accessible surface: 616.887	Positive charged surface: 403.012	Negative charged surface: 211.107	Volume: 330.75
Hydrophobic surface: 523.861	Hydrophilic surface: 93.026

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.