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MMsINC code: MMs03664081

Type: Neutral
Formula: C₂₅H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C1N(Cc2ccccc2)C(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C25H20FNO3/c1-16-7-9-19(10-8-16)23(28)21-22(18-11-13-20(26)14-12-18)27(25(30)24(21)29)15-17-5-3-2-4-6-17/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)=84.4452 kcal/mol

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

Topological Properties
Globularity: 0.144293	Sterimol/B1: 4.22619	Sterimol/B2: 4.63686	Sterimol/B3: 4.93361
Sterimol/B4: 8.563	Sterimol/L: 15.9081

Surface and Volume Properties
Accessible surface: 656.46	Positive charged surface: 330.829	Negative charged surface: 325.631	Volume: 380
Hydrophobic surface: 562.046	Hydrophilic surface: 94.414

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

MMs03664083
PUBCHEM-ZINC06295301