MMsINC Database Search


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MMsINC code: MMs03664167

Type: Neutral
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+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9876 kcal/mol

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

Topological Properties
Globularity: 0.142764	Sterimol/B1: 4.30506	Sterimol/B2: 4.5283	Sterimol/B3: 5.05118
Sterimol/B4: 8.16822	Sterimol/L: 15.8927

Surface and Volume Properties
Accessible surface: 650.47	Positive charged surface: 329.432	Negative charged surface: 321.038	Volume: 380.75
Hydrophobic surface: 554.53	Hydrophilic surface: 95.94

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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Ions/Tautomers related molecules

MMs03664169 PUBCHEM-ZINC06295327	MMs03664170 PUBCHEM-ZINC06295327	MMs03664168 PUBCHEM-ZINC06295327
MMs03664171 PUBCHEM-ZINC06295327