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MMsINC code: MMs00562523

Type: Neutral
Formula: C₁₈H₁₆F₃NO₄

SMILES:

FC(F)(F)Oc1ccc(NC(=O)C(Cc2ccccc2)CC(O)=O)cc1

InChI:

InChI=1/C18H16F3NO4/c19-18(20,21)26-15-8-6-14(7-9-15)22-17(25)13(11-16(23)24)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,22,25)(H,23,24)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8117 kcal/mol

Physical Properties
Molecular Weight: 367.323 g/mol	logS: -4.23991	SlogP: 4.27717	Reactive groups: 0

Topological Properties
Globularity: 0.0692079	Sterimol/B1: 3.35295	Sterimol/B2: 3.67041	Sterimol/B3: 3.81781
Sterimol/B4: 5.96083	Sterimol/L: 18.5886

Surface and Volume Properties
Accessible surface: 579.292	Positive charged surface: 275.81	Negative charged surface: 303.482	Volume: 310
Hydrophobic surface: 363.328	Hydrophilic surface: 215.964

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00562524
CHEMBLOCK-ZINC04618985