MMsINC Database Search


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MMsINC code: MMs01386310

Type: Neutral
Formula: C₂₄H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)COc1ccccc1C(=O)NCCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H21FN2O2/c25-19-11-9-17(10-12-19)16-29-23-8-4-2-6-21(23)24(28)26-14-13-18-15-27-22-7-3-1-5-20(18)22/h1-12,15,27H,13-14,16H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.542 kcal/mol

Physical Properties
Molecular Weight: 388.442 g/mol	logS: -5.76354	SlogP: 5.12487	Reactive groups: 0

Topological Properties
Globularity: 0.0875798	Sterimol/B1: 2.56069	Sterimol/B2: 5.91702	Sterimol/B3: 6.69523
Sterimol/B4: 8.13818	Sterimol/L: 16.1082

Surface and Volume Properties
Accessible surface: 689.497	Positive charged surface: 392.026	Negative charged surface: 292.752	Volume: 375.625
Hydrophobic surface: 601.769	Hydrophilic surface: 87.728

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.