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MMsINC code: MMs01272664

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O₄

SMILES:

Fc1ccc(F)cc1NC(=O)CO\N=C\c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C17H14F2N2O4/c1-24-17(23)12-4-2-11(3-5-12)9-20-25-10-16(22)21-15-8-13(18)6-7-14(15)19/h2-9H,10H2,1H3,(H,21,22)/b20-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.671 kcal/mol

Physical Properties
Molecular Weight: 348.305 g/mol	logS: -4.58666	SlogP: 2.7406	Reactive groups: 0

Topological Properties
Globularity: 0.00673796	Sterimol/B1: 2.47236	Sterimol/B2: 2.73567	Sterimol/B3: 2.7991
Sterimol/B4: 5.93353	Sterimol/L: 21.4337

Surface and Volume Properties
Accessible surface: 625.334	Positive charged surface: 378.371	Negative charged surface: 246.963	Volume: 303
Hydrophobic surface: 501.446	Hydrophilic surface: 123.888

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

MMs01272665
ENAMINE-ZINC02646712