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MMsINC code: MMs00453098

Type: Neutral
Formula: C₁₇H₁₅F₃N₂O₃

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)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0282 kcal/mol

Physical Properties
Molecular Weight: 352.312 g/mol	logS: -4.30995	SlogP: 3.83427	Reactive groups: 0

Topological Properties
Globularity: 0.179293	Sterimol/B1: 2.55213	Sterimol/B2: 4.15341	Sterimol/B3: 4.75832
Sterimol/B4: 9.15178	Sterimol/L: 13.7309

Surface and Volume Properties
Accessible surface: 568.513	Positive charged surface: 260.629	Negative charged surface: 307.884	Volume: 299.375
Hydrophobic surface: 358.46	Hydrophilic surface: 210.053

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs00453099
AURORAFEINCHEMIE-ZINC02402811