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MMsINC code: MMs00660133

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C1N(Cc2occc2)C(=O)C(O)=C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H18FNO4/c1-14-4-6-16(7-5-14)21(26)19-20(15-8-10-17(24)11-9-15)25(23(28)22(19)27)13-18-3-2-12-29-18/h2-12,20,27H,13H2,1H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8754 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.15097	SlogP: 4.86752	Reactive groups: 1

Topological Properties
Globularity: 0.140212	Sterimol/B1: 2.81756	Sterimol/B2: 5.28803	Sterimol/B3: 5.72564
Sterimol/B4: 5.84701	Sterimol/L: 16.6285

Surface and Volume Properties
Accessible surface: 606.952	Positive charged surface: 319.778	Negative charged surface: 287.175	Volume: 358.25
Hydrophobic surface: 482.701	Hydrophilic surface: 124.251

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00660135
CHEMBRIDGE-ZINC01094534