MMsINC Database Search


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MMsINC code: MMs02155155

Type: Neutral
Formula: C₂₀H₁₅F₃N₂O₃

SMILES:

FC(F)(F)c1ccccc1C(=O)Nc1cccnc1Oc1ccc(OC)cc1

InChI:

InChI=1/C20H15F3N2O3/c1-27-13-8-10-14(11-9-13)28-19-17(7-4-12-24-19)25-18(26)15-5-2-3-6-16(15)20(21,22)23/h2-12H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.924 kcal/mol

Physical Properties
Molecular Weight: 388.345 g/mol	logS: -5.29763	SlogP: 5.4651	Reactive groups: 0

Topological Properties
Globularity: 0.0521496	Sterimol/B1: 2.85508	Sterimol/B2: 3.66432	Sterimol/B3: 4.56011
Sterimol/B4: 7.88176	Sterimol/L: 18.0518

Surface and Volume Properties
Accessible surface: 618.833	Positive charged surface: 353.143	Negative charged surface: 265.69	Volume: 331.625
Hydrophobic surface: 491.797	Hydrophilic surface: 127.036

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.