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MMsINC code: MMs00668765

Type: Neutral
Formula: C₂₅H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)C=1C(N(Cc2ccccc2)C(=O)C=1O)c1cc(OC)ccc1

InChI:

InChI=1/C25H20FNO4/c1-31-20-9-5-8-18(14-20)22-21(23(28)17-10-12-19(26)13-11-17)24(29)25(30)27(22)15-16-6-3-2-4-7-16/h2-14,22,29H,15H2,1H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.497 kcal/mol

Physical Properties
Molecular Weight: 417.436 g/mol	logS: -5.97586	SlogP: 4.9747	Reactive groups: 1

Topological Properties
Globularity: 0.139224	Sterimol/B1: 2.3727	Sterimol/B2: 3.70978	Sterimol/B3: 4.53272
Sterimol/B4: 10.8249	Sterimol/L: 16.0415

Surface and Volume Properties
Accessible surface: 629.778	Positive charged surface: 372.025	Negative charged surface: 257.753	Volume: 384.75
Hydrophobic surface: 508.47	Hydrophilic surface: 121.308

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00668766
CHEMBRIDGE-ZINC01136857