MMsINC Database Search


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MMsINC code: MMs01362611

Type: Neutral
Formula: C₁₈H₁₆F₃NO₃

SMILES:

FC(F)(F)c1ccccc1C(OCC(=O)Nc1cccc(C)c1C)=O

InChI:

InChI=1/C18H16F3NO3/c1-11-6-5-9-15(12(11)2)22-16(23)10-25-17(24)13-7-3-4-8-14(13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.879 kcal/mol

Physical Properties
Molecular Weight: 351.324 g/mol	logS: -5.45398	SlogP: 4.42924	Reactive groups: 0

Topological Properties
Globularity: 0.0162652	Sterimol/B1: 2.20269	Sterimol/B2: 3.48955	Sterimol/B3: 3.93645
Sterimol/B4: 5.02542	Sterimol/L: 17.8659

Surface and Volume Properties
Accessible surface: 577.76	Positive charged surface: 294.177	Negative charged surface: 283.583	Volume: 304.875
Hydrophobic surface: 429.45	Hydrophilic surface: 148.31

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.