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MMsINC code: MMs00453099

Type: Ionized
Formula: C₁₇H₁₄F₃N₂O₃-

SMILES:

FC(F)(F)c1ccccc1NC(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C17H15F3N2O3/c18-17(19,20)12-8-4-5-9-13(12)21-16(25)22-14(15(23)24)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,23,24)(H2,21,22,25)/p-1/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4697 kcal/mol

Physical Properties
Molecular Weight: 351.304 g/mol	logS: -4.5704	SlogP: 2.49957	Reactive groups: 0

Topological Properties
Globularity: 0.107987	Sterimol/B1: 2.56806	Sterimol/B2: 3.15354	Sterimol/B3: 3.86032
Sterimol/B4: 9.04262	Sterimol/L: 12.9996

Surface and Volume Properties
Accessible surface: 549.884	Positive charged surface: 246.134	Negative charged surface: 303.75	Volume: 296.625
Hydrophobic surface: 345.479	Hydrophilic surface: 204.405

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs00453098
AURORAFEINCHEMIE-ZINC02402811