MMsINC Database Search


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MMsINC code: MMs00188282

Type: Neutral
Formula: C₂₄H₁₆FNO₂

SMILES:

Fc1ccc(N2C(=O)C3C(C4c5c(C3c3c4cccc3)cccc5)C2=O)cc1

InChI:

InChI=1/C24H16FNO2/c25-13-9-11-14(12-10-13)26-23(27)21-19-15-5-1-2-6-16(15)20(22(21)24(26)28)18-8-4-3-7-17(18)19/h1-12,19-22H/t19-,20+,21-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.162 kcal/mol

Physical Properties
Molecular Weight: 369.395 g/mol	logS: -5.47773	SlogP: 4.2223	Reactive groups: 0

Topological Properties
Globularity: 0.187656	Sterimol/B1: 2.39154	Sterimol/B2: 3.63487	Sterimol/B3: 4.53151
Sterimol/B4: 8.78824	Sterimol/L: 14.8958

Surface and Volume Properties
Accessible surface: 582.354	Positive charged surface: 295.112	Negative charged surface: 287.242	Volume: 337
Hydrophobic surface: 519.443	Hydrophilic surface: 62.911

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: no related molecules available.