MMsINC Database Search


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MMsINC code: MMs00268729

Type: Neutral
Formula: C₁₅H₁₂F₃N

SMILES:

FC(F)(F)Cc1cc2c3c(n(c2cc1)C)cccc3

InChI:

InChI=1/C15H12F3N/c1-19-13-5-3-2-4-11(13)12-8-10(6-7-14(12)19)9-15(16,17)18/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2623 kcal/mol

Physical Properties
Molecular Weight: 263.262 g/mol	logS: -4.53349	SlogP: 5.21537	Reactive groups: 0

Topological Properties
Globularity: 0.0391646	Sterimol/B1: 2.20799	Sterimol/B2: 2.75813	Sterimol/B3: 2.87156
Sterimol/B4: 7.65715	Sterimol/L: 13.7351

Surface and Volume Properties
Accessible surface: 452.136	Positive charged surface: 216.77	Negative charged surface: 223.969	Volume: 234.875
Hydrophobic surface: 354.725	Hydrophilic surface: 97.411

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