MMsINC Database Search


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MMsINC code: MMs00975604

Type: Neutral
Formula: C₂₃H₁₄F₃N₃

SMILES:

Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccc(F)cc1)-c1ccc(cc1)C

InChI:

InChI=1/C23H14F3N3/c1-13-2-8-17(9-3-13)29-23-18-10-16(25)11-20(26)22(18)27-12-19(23)21(28-29)14-4-6-15(24)7-5-14/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.022 kcal/mol

Physical Properties
Molecular Weight: 389.38 g/mol	logS: -7.72805	SlogP: 5.96642	Reactive groups: 0

Topological Properties
Globularity: 0.0393651	Sterimol/B1: 2.32596	Sterimol/B2: 3.02689	Sterimol/B3: 3.22113
Sterimol/B4: 9.86095	Sterimol/L: 16.5331

Surface and Volume Properties
Accessible surface: 603.449	Positive charged surface: 295.407	Negative charged surface: 297.247	Volume: 342.75
Hydrophobic surface: 567.656	Hydrophilic surface: 35.793

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.