MMsINC Database Search


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MMsINC code: MMs01346033

Type: Neutral
Formula: C₁₆H₁₅F₃N₂O₃

SMILES:

FC(F)(F)C=1N(CCOC)C(=O)C(NC(=O)c2ccccc2)=CC=1

InChI:

InChI=1/C16H15F3N2O3/c1-24-10-9-21-13(16(17,18)19)8-7-12(15(21)23)20-14(22)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.755 kcal/mol

Physical Properties
Molecular Weight: 340.301 g/mol	logS: -4.1148	SlogP: 2.655	Reactive groups: 0

Topological Properties
Globularity: 0.0580723	Sterimol/B1: 2.16911	Sterimol/B2: 2.45323	Sterimol/B3: 4.31305
Sterimol/B4: 8.11727	Sterimol/L: 15

Surface and Volume Properties
Accessible surface: 541.634	Positive charged surface: 306.139	Negative charged surface: 235.496	Volume: 288.625
Hydrophobic surface: 402.977	Hydrophilic surface: 138.657

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.