MMsINC Database Search


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MMsINC code: MMs02168596

Type: Neutral
Formula: C₂₃H₂₁F₃N₂O₂

SMILES:

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

InChI:

InChI=1/C23H21F3N2O2/c1-22(2,3)15-10-12-16(13-11-15)30-21-19(9-6-14-27-21)28-20(29)17-7-4-5-8-18(17)23(24,25)26/h4-14H,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.298 kcal/mol

Physical Properties
Molecular Weight: 414.427 g/mol	logS: -7.26683	SlogP: 6.754	Reactive groups: 0

Topological Properties
Globularity: 0.0458553	Sterimol/B1: 2.52238	Sterimol/B2: 3.81396	Sterimol/B3: 4.77204
Sterimol/B4: 7.91156	Sterimol/L: 18.3439

Surface and Volume Properties
Accessible surface: 670.336	Positive charged surface: 374.113	Negative charged surface: 296.223	Volume: 377.375
Hydrophobic surface: 503.479	Hydrophilic surface: 166.857

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.