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MMsINC code: MMs03272366

Type: Neutral
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)C=1C(N(Cc2cccnc2)C(=O)C=1O)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/h1-12,20,27,29H,13H2/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3555 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -4.30539	SlogP: 4.0667	Reactive groups: 1

Topological Properties
Globularity: 0.323563	Sterimol/B1: 3.81517	Sterimol/B2: 3.94197	Sterimol/B3: 6.15629
Sterimol/B4: 9.19857	Sterimol/L: 14.271

Surface and Volume Properties
Accessible surface: 637.25	Positive charged surface: 357.944	Negative charged surface: 279.306	Volume: 364.75
Hydrophobic surface: 462.416	Hydrophilic surface: 174.834

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03272367
PUBCHEM-ZINC05446516