MMsINC Database Search


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MMsINC code: MMs02735434

Type: Neutral
Formula: C₂₁H₁₈F₄N₂O₂

SMILES:

Fc1ccc(cc1)CN(Cc1oc(cc1)C)C(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C21H18F4N2O2/c1-14-5-10-19(29-14)13-27(12-15-6-8-17(22)9-7-15)20(28)26-18-4-2-3-16(11-18)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)=66.3121 kcal/mol

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

Topological Properties
Globularity: 0.162981	Sterimol/B1: 2.20943	Sterimol/B2: 3.28678	Sterimol/B3: 5.27345
Sterimol/B4: 12.3284	Sterimol/L: 14.4232

Surface and Volume Properties
Accessible surface: 653.766	Positive charged surface: 303.679	Negative charged surface: 350.087	Volume: 354.625
Hydrophobic surface: 515.031	Hydrophilic surface: 138.735

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.