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MMsINC code: MMs03793092

Type: Neutral
Formula: C₂₄H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)C=1C(N(Cc2ccccc2)C(=O)C=1O)c1ccc(O)cc1

InChI:

InChI=1/C24H18FNO4/c25-18-10-6-17(7-11-18)22(28)20-21(16-8-12-19(27)13-9-16)26(24(30)23(20)29)14-15-4-2-1-3-5-15/h1-13,21,27,29H,14H2/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4307 kcal/mol

Physical Properties
Molecular Weight: 403.409 g/mol	logS: -5.56353	SlogP: 4.6717	Reactive groups: 1

Topological Properties
Globularity: 0.337221	Sterimol/B1: 3.22948	Sterimol/B2: 4.21126	Sterimol/B3: 7.15728
Sterimol/B4: 9.12344	Sterimol/L: 14.2065

Surface and Volume Properties
Accessible surface: 640.861	Positive charged surface: 332.464	Negative charged surface: 308.397	Volume: 370.75
Hydrophobic surface: 483.978	Hydrophilic surface: 156.883

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

MMs03793093
PUBCHEM-ZINC06554141