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MMsINC code: MMs03268357

Type: Neutral
Formula: C₁₉H₁₆F₃NO₃

SMILES:

FC(F)(F)C=1OC=2C(C=CC(=O)C=2CN(C)C)=C(O)C=1c1ccccc1

InChI:

InChI=1/C19H16F3NO3/c1-23(2)10-13-14(24)9-8-12-16(25)15(11-6-4-3-5-7-11)18(19(20,21)22)26-17(12)13/h3-9,25H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.498 kcal/mol

Physical Properties
Molecular Weight: 363.335 g/mol	logS: -5.16665	SlogP: 4.1768	Reactive groups: 1

Topological Properties
Globularity: 0.0640446	Sterimol/B1: 2.53782	Sterimol/B2: 4.18353	Sterimol/B3: 4.3899
Sterimol/B4: 5.66787	Sterimol/L: 15.5088

Surface and Volume Properties
Accessible surface: 555.981	Positive charged surface: 325.148	Negative charged surface: 225.465	Volume: 313
Hydrophobic surface: 408.153	Hydrophilic surface: 147.828

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03268358
PUBCHEM-ZINC05432451