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MMsINC code: MMs03272368

Type: Tautomer
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(O)cc1

InChI:

InChI=1/C23H17FN2O4/c24-17-7-3-16(4-8-17)21(28)19-20(15-5-9-18(27)10-6-15)26(23(30)22(19)29)13-14-2-1-11-25-12-14/h1-12,19-20,27H,13H2/t19-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0988 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -4.20373	SlogP: 3.4399	Reactive groups: 0

Topological Properties
Globularity: 0.203431	Sterimol/B1: 3.60878	Sterimol/B2: 3.78735	Sterimol/B3: 5.49212
Sterimol/B4: 6.81627	Sterimol/L: 15.7931

Surface and Volume Properties
Accessible surface: 596.562	Positive charged surface: 341.546	Negative charged surface: 255.016	Volume: 362.625
Hydrophobic surface: 432.1	Hydrophilic surface: 164.462

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs03272366
PUBCHEM-ZINC05446516