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MMsINC code: MMs01798735

Type: Neutral
Formula: C₂₁H₁₅FN₂O₄

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C(O)=O

InChI:

InChI=1/C21H15FN2O4/c22-15-7-3-5-13(11-15)19(25)24-18-10-2-1-9-17(18)20(26)23-16-8-4-6-14(12-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.127 kcal/mol

Physical Properties
Molecular Weight: 378.359 g/mol	logS: -5.58924	SlogP: 4.0285	Reactive groups: 0

Topological Properties
Globularity: 0.0260831	Sterimol/B1: 2.50839	Sterimol/B2: 2.58939	Sterimol/B3: 3.10442
Sterimol/B4: 11.0132	Sterimol/L: 15.3033

Surface and Volume Properties
Accessible surface: 607.597	Positive charged surface: 318.135	Negative charged surface: 289.463	Volume: 334.75
Hydrophobic surface: 459.254	Hydrophilic surface: 148.343

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

MMs01798736
IBS-ZINC02195657