MMsINC Database Search


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MMsINC code: MMs01210872

Type: Neutral
Formula: C₂₁H₂₀F₂N₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)Nc2ccc(F)cc2)c(C)c(C)c1C

InChI:

InChI=1/C21H20F2N2O/c1-13-14(2)20(21(26)24-18-10-8-17(22)9-11-18)25(15(13)3)12-16-6-4-5-7-19(16)23/h4-11H,12H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.595 kcal/mol

Physical Properties
Molecular Weight: 354.4 g/mol	logS: -4.83721	SlogP: 5.25856	Reactive groups: 0

Topological Properties
Globularity: 0.0962876	Sterimol/B1: 3.14082	Sterimol/B2: 3.74799	Sterimol/B3: 4.12146
Sterimol/B4: 7.9743	Sterimol/L: 15.0317

Surface and Volume Properties
Accessible surface: 563.923	Positive charged surface: 300.884	Negative charged surface: 263.039	Volume: 332.625
Hydrophobic surface: 527.269	Hydrophilic surface: 36.654

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.