MMsINC Database Search


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MMsINC code: MMs02615501

Type: Neutral
Formula: C₂₅H₁₅F₃N₄

SMILES:

FC(F)(F)c1ncc(cc1)-c1nc(ncc1-c1c2c(ncc1)cccc2)-c1ccccc1

InChI:

InChI=1/C25H15F3N4/c26-25(27,28)22-11-10-17(14-30-22)23-20(15-31-24(32-23)16-6-2-1-3-7-16)18-12-13-29-21-9-5-4-8-19(18)21/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.528 kcal/mol

Physical Properties
Molecular Weight: 428.417 g/mol	logS: -8.33483	SlogP: 6.7511	Reactive groups: 0

Topological Properties
Globularity: 0.134208	Sterimol/B1: 4.55366	Sterimol/B2: 4.7344	Sterimol/B3: 5.55026
Sterimol/B4: 5.94515	Sterimol/L: 16.251

Surface and Volume Properties
Accessible surface: 643.941	Positive charged surface: 332.421	Negative charged surface: 300.491	Volume: 379.125
Hydrophobic surface: 485.736	Hydrophilic surface: 158.205

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.