MMsINC Database Search


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MMsINC code: MMs00210139

Type: Neutral
Formula: C₂₄H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C24H19FN2O2/c1-2-29-19-13-11-18(12-14-19)26-24(28)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,2H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.524 kcal/mol

Physical Properties
Molecular Weight: 386.426 g/mol	logS: -7.01116	SlogP: 5.6919	Reactive groups: 0

Topological Properties
Globularity: 0.0159833	Sterimol/B1: 2.63663	Sterimol/B2: 3.58249	Sterimol/B3: 5.66032
Sterimol/B4: 7.549	Sterimol/L: 19.636

Surface and Volume Properties
Accessible surface: 662.554	Positive charged surface: 364.646	Negative charged surface: 287.104	Volume: 368.125
Hydrophobic surface: 582.591	Hydrophilic surface: 79.963

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.