MMsINC Database Search


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MMsINC code: MMs01126563

Type: Neutral
Formula: C₂₁H₁₈F₄N₂O₂

SMILES:

Fc1ccc(cc1)CN(Cc1oc(cc1)C)C(=O)Nc1ccccc1C(F)(F)F

InChI:

InChI=1/C21H18F4N2O2/c1-14-6-11-17(29-14)13-27(12-15-7-9-16(22)10-8-15)20(28)26-19-5-3-2-4-18(19)21(23,24)25/h2-11H,12-13H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1612 kcal/mol

Physical Properties
Molecular Weight: 406.379 g/mol	logS: -6.27449	SlogP: 6.82452	Reactive groups: 0

Topological Properties
Globularity: 0.190751	Sterimol/B1: 2.13917	Sterimol/B2: 3.78116	Sterimol/B3: 5.12515
Sterimol/B4: 12.2042	Sterimol/L: 14.1173

Surface and Volume Properties
Accessible surface: 634.301	Positive charged surface: 297.271	Negative charged surface: 337.03	Volume: 353
Hydrophobic surface: 517.569	Hydrophilic surface: 116.732

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.