MMsINC Database Search


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

MMsINC code: MMs02017162

Type: Neutral
Formula: C₂₀H₁₂F₂N₂O₃

SMILES:

Fc1cc(ccc1F)C(=O)Nc1nc-2c(c(c1)C)C(Oc1c-2cccc1)=O

InChI:

InChI=1/C20H12F2N2O3/c1-10-8-16(24-19(25)11-6-7-13(21)14(22)9-11)23-18-12-4-2-3-5-15(12)27-20(26)17(10)18/h2-9H,1H3,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.028 kcal/mol

Physical Properties
Molecular Weight: 366.323 g/mol	logS: -6.74735	SlogP: 4.12012	Reactive groups: 0

Topological Properties
Globularity: 0.00476062	Sterimol/B1: 2.17134	Sterimol/B2: 2.25209	Sterimol/B3: 2.49595
Sterimol/B4: 9.80963	Sterimol/L: 16.7378

Surface and Volume Properties
Accessible surface: 563.691	Positive charged surface: 277.226	Negative charged surface: 281.795	Volume: 313
Hydrophobic surface: 461.003	Hydrophilic surface: 102.688

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.