MMsINC Database Search


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MMsINC code: MMs00255116

Type: Neutral
Formula: C₂₄H₁₇FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C24H17FN2O2/c25-20-13-5-3-11-18(20)23(28)27-22-14-6-4-12-19(22)24(29)26-21-15-7-9-16-8-1-2-10-17(16)21/h1-15H,(H,26,29)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.466 kcal/mol

Physical Properties
Molecular Weight: 384.41 g/mol	logS: -7.49772	SlogP: 5.4835	Reactive groups: 0

Topological Properties
Globularity: 0.0281496	Sterimol/B1: 2.27716	Sterimol/B2: 4.10974	Sterimol/B3: 4.86562
Sterimol/B4: 7.43311	Sterimol/L: 17.963

Surface and Volume Properties
Accessible surface: 629.528	Positive charged surface: 323.161	Negative charged surface: 296.009	Volume: 356.625
Hydrophobic surface: 585.241	Hydrophilic surface: 44.287

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.