MMsINC Database Search


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MMsINC code: MMs01152474

Type: Neutral
Formula: C₂₅H₂₀F₂N₂O

SMILES:

Fc1ccccc1-n1c(cc(C(=O)NCc2ccc(F)cc2)c1C)-c1ccccc1

InChI:

InChI=1/C25H20F2N2O/c1-17-21(25(30)28-16-18-11-13-20(26)14-12-18)15-24(19-7-3-2-4-8-19)29(17)23-10-6-5-9-22(23)27/h2-15H,16H2,1H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.485 kcal/mol

Physical Properties
Molecular Weight: 402.444 g/mol	logS: -6.75853	SlogP: 5.92732	Reactive groups: 0

Topological Properties
Globularity: 0.0586694	Sterimol/B1: 1.99624	Sterimol/B2: 3.59869	Sterimol/B3: 3.90458
Sterimol/B4: 9.856	Sterimol/L: 18.1638

Surface and Volume Properties
Accessible surface: 673.885	Positive charged surface: 349.499	Negative charged surface: 324.387	Volume: 384.125
Hydrophobic surface: 626.436	Hydrophilic surface: 47.449

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.