MMsINC Database Search


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MMsINC code: MMs00741873

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1)-c1oc2c(n1)cc(cc2)C(C)C

InChI:

InChI=1/C23H19FN2O2/c1-14(2)15-10-11-21-20(13-15)26-23(28-21)16-6-5-7-17(12-16)25-22(27)18-8-3-4-9-19(18)24/h3-14H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0882 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -8.46988	SlogP: 6.0096	Reactive groups: 0

Topological Properties
Globularity: 0.0218082	Sterimol/B1: 2.41749	Sterimol/B2: 4.29021	Sterimol/B3: 4.80074
Sterimol/B4: 7.64039	Sterimol/L: 19.7729

Surface and Volume Properties
Accessible surface: 658.396	Positive charged surface: 378.278	Negative charged surface: 280.119	Volume: 356.25
Hydrophobic surface: 543.023	Hydrophilic surface: 115.373

Pharmacophoric Properties
Hydrogen bond donors: 1	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.