MMsINC Database Search


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MMsINC code: MMs00626951

Type: Neutral
Formula: C₁₅H₁₄F₃NO

SMILES:

FC(F)(F)c1ccc(Oc2cc(cc(C)c2C)C)nc1

InChI:

InChI=1/C15H14F3NO/c1-9-6-10(2)11(3)13(7-9)20-14-5-4-12(8-19-14)15(16,17)18/h4-8H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9203 kcal/mol

Physical Properties
Molecular Weight: 281.277 g/mol	logS: -4.38557	SlogP: 5.12946	Reactive groups: 0

Topological Properties
Globularity: 0.138653	Sterimol/B1: 2.31423	Sterimol/B2: 3.6985	Sterimol/B3: 4.42957
Sterimol/B4: 7.26128	Sterimol/L: 13.258

Surface and Volume Properties
Accessible surface: 492.54	Positive charged surface: 251.668	Negative charged surface: 240.872	Volume: 251.625
Hydrophobic surface: 383.176	Hydrophilic surface: 109.364

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.