MMsINC Database Search


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MMsINC code: MMs03638042

Type: Neutral
Formula: C₂₃H₁₆F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)c1cc(nc2c1cccc2)-c1cc(OC)ccc1

InChI:

InChI=1/C23H16F2N2O2/c1-29-16-6-4-5-14(11-16)22-13-18(17-7-2-3-8-20(17)26-22)23(28)27-21-10-9-15(24)12-19(21)25/h2-13H,1H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.109 kcal/mol

Physical Properties
Molecular Weight: 390.389 g/mol	logS: -6.97893	SlogP: 5.4409	Reactive groups: 0

Topological Properties
Globularity: 0.0106738	Sterimol/B1: 2.72935	Sterimol/B2: 2.74941	Sterimol/B3: 4.11772
Sterimol/B4: 8.91107	Sterimol/L: 19.0168

Surface and Volume Properties
Accessible surface: 634.273	Positive charged surface: 338.959	Negative charged surface: 284.668	Volume: 351.375
Hydrophobic surface: 581.07	Hydrophilic surface: 53.203

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.