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MMsINC code: MMs03664169

Type: Tautomer
Formula: C₂₅H₂₀FNO₃

SMILES:

Fc1ccccc1C1N(Cc2ccccc2)C(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C25H20FNO3/c1-16-11-13-18(14-12-16)23(28)21-22(19-9-5-6-10-20(19)26)27(25(30)24(21)29)15-17-7-3-2-4-8-17/h2-14,21-22H,15H2,1H3/t21-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0341 kcal/mol

Physical Properties
Molecular Weight: 401.437 g/mol	logS: -6.29774	SlogP: 4.64772	Reactive groups: 0

Topological Properties
Globularity: 0.16129	Sterimol/B1: 2.58715	Sterimol/B2: 3.91318	Sterimol/B3: 6.18926
Sterimol/B4: 7.79727	Sterimol/L: 16.8809

Surface and Volume Properties
Accessible surface: 621.341	Positive charged surface: 334.806	Negative charged surface: 286.536	Volume: 380.25
Hydrophobic surface: 524.456	Hydrophilic surface: 96.885

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

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Parent related molecule:

MMs03664167
PUBCHEM-ZINC06295327