MMsINC Database Search


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MMsINC code: MMs03161316

Type: Neutral
Formula: C₂₄H₂₀FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCOc1ccc(cc1)C)cccc2

InChI:

InChI=1/C24H20FNO2/c1-17-10-12-18(13-11-17)28-15-14-26-16-21(19-6-3-5-9-23(19)26)24(27)20-7-2-4-8-22(20)25/h2-13,16H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0025 kcal/mol

Physical Properties
Molecular Weight: 373.427 g/mol	logS: -6.25522	SlogP: 5.66522	Reactive groups: 0

Topological Properties
Globularity: 0.0947668	Sterimol/B1: 2.61451	Sterimol/B2: 4.95462	Sterimol/B3: 5.39073
Sterimol/B4: 8.37824	Sterimol/L: 16.7439

Surface and Volume Properties
Accessible surface: 661.673	Positive charged surface: 362.162	Negative charged surface: 294.401	Volume: 366.875
Hydrophobic surface: 619.4	Hydrophilic surface: 42.273

Pharmacophoric Properties
Hydrogen bond donors: 0	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.