MMsINC Database Search


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MMsINC code: MMs01419028

Type: Neutral
Formula: C₁₈H₁₉F₃N₂O₂

SMILES:

FC(F)(F)C=1N(C)C(=O)C(NC(=O)c2ccc(cc2)CCCC)=CC=1

InChI:

InChI=1/C18H19F3N2O2/c1-3-4-5-12-6-8-13(9-7-12)16(24)22-14-10-11-15(18(19,20)21)23(2)17(14)25/h6-11H,3-5H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.053 kcal/mol

Physical Properties
Molecular Weight: 352.356 g/mol	logS: -5.99174	SlogP: 3.98097	Reactive groups: 0

Topological Properties
Globularity: 0.038418	Sterimol/B1: 2.49385	Sterimol/B2: 2.93342	Sterimol/B3: 5.00655
Sterimol/B4: 5.62454	Sterimol/L: 19.5228

Surface and Volume Properties
Accessible surface: 601.398	Positive charged surface: 332.001	Negative charged surface: 269.397	Volume: 315.875
Hydrophobic surface: 418.29	Hydrophilic surface: 183.108

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.