MMsINC Database Search


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MMsINC code: MMs00701424

Type: Neutral
Formula: C₂₃H₁₉F₆NO

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

InChI:

InChI=1/C23H19F6NO/c24-22(25,26)21(31,23(27,28)29)19-11-13-20(14-12-19)30(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,31H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.36 kcal/mol

Physical Properties
Molecular Weight: 439.399 g/mol	logS: -6.78509	SlogP: 7.8897	Reactive groups: 0

Topological Properties
Globularity: 0.106859	Sterimol/B1: 2.48802	Sterimol/B2: 2.9297	Sterimol/B3: 4.07818
Sterimol/B4: 11.8732	Sterimol/L: 14.0891

Surface and Volume Properties
Accessible surface: 627.76	Positive charged surface: 267.366	Negative charged surface: 360.394	Volume: 373.25
Hydrophobic surface: 417.401	Hydrophilic surface: 210.359

Pharmacophoric Properties
Hydrogen bond donors: 1	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.