MMsINC Database Search


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MMsINC code: MMs00866774

Type: Neutral
Formula: C₂₀H₁₂F₂N₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc2nc(oc2cc1)-c1ccc(F)cc1

InChI:

InChI=1/C20H12F2N2O2/c21-14-6-4-12(5-7-14)20-24-17-11-16(8-9-18(17)26-20)23-19(25)13-2-1-3-15(22)10-13/h1-11H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9853 kcal/mol

Physical Properties
Molecular Weight: 350.324 g/mol	logS: -7.2605	SlogP: 5.0253	Reactive groups: 0

Topological Properties
Globularity: 0.00891105	Sterimol/B1: 2.28186	Sterimol/B2: 2.66257	Sterimol/B3: 3.17056
Sterimol/B4: 7.12805	Sterimol/L: 19.7312

Surface and Volume Properties
Accessible surface: 583.207	Positive charged surface: 289.272	Negative charged surface: 293.935	Volume: 308.375
Hydrophobic surface: 508.433	Hydrophilic surface: 74.774

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.