MMsINC Database Search


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MMsINC code: MMs00245489

Type: Neutral
Formula: C₂₀H₁₆F₄N₂O₂

SMILES:

Fc1ccc(cc1)CN(CC1=Cc2cc(ccc2NC1=O)C)C(=O)C(F)(F)F

InChI:

InChI=1/C20H16F4N2O2/c1-12-2-7-17-14(8-12)9-15(18(27)25-17)11-26(19(28)20(22,23)24)10-13-3-5-16(21)6-4-13/h2-9H,10-11H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.681 kcal/mol

Physical Properties
Molecular Weight: 392.352 g/mol	logS: -5.91115	SlogP: 4.74702	Reactive groups: 0

Topological Properties
Globularity: 0.0482778	Sterimol/B1: 3.15648	Sterimol/B2: 3.56516	Sterimol/B3: 4.83703
Sterimol/B4: 5.44088	Sterimol/L: 17.9363

Surface and Volume Properties
Accessible surface: 580.183	Positive charged surface: 280.624	Negative charged surface: 299.559	Volume: 330.25
Hydrophobic surface: 409.939	Hydrophilic surface: 170.244

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.