MMsINC Database Search


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MMsINC code: MMs00686473

Type: Neutral
Formula: C₂₄H₁₈F₂N₂O₂

SMILES:

Fc1cc(NC(=O)c2cc(nc3c2cccc3)-c2ccc(OCC)cc2)ccc1F

InChI:

InChI=1/C24H18F2N2O2/c1-2-30-17-10-7-15(8-11-17)23-14-19(18-5-3-4-6-22(18)28-23)24(29)27-16-9-12-20(25)21(26)13-16/h3-14H,2H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.75 kcal/mol

Physical Properties
Molecular Weight: 404.416 g/mol	logS: -7.30614	SlogP: 5.831	Reactive groups: 0

Topological Properties
Globularity: 0.0139692	Sterimol/B1: 2.75951	Sterimol/B2: 2.96721	Sterimol/B3: 4.45515
Sterimol/B4: 9.88744	Sterimol/L: 18.1483

Surface and Volume Properties
Accessible surface: 672.319	Positive charged surface: 358.086	Negative charged surface: 303.403	Volume: 368.25
Hydrophobic surface: 595.839	Hydrophilic surface: 76.48

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.