MMsINC Database Search


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MMsINC code: MMs01956446

Type: Neutral
Formula: C₂₄H₂₀FN₃O₃

SMILES:

Fc1ccccc1COc1cc(O)c(cc1)-c1nc(ncc1-c1ccc(OC)cc1)N

InChI:

InChI=1/C24H20FN3O3/c1-30-17-8-6-15(7-9-17)20-13-27-24(26)28-23(20)19-11-10-18(12-22(19)29)31-14-16-4-2-3-5-21(16)25/h2-13,29H,14H2,1H3,(H2,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4278 kcal/mol

Physical Properties
Molecular Weight: 417.44 g/mol	logS: -7.23361	SlogP: 5.0915	Reactive groups: 0

Topological Properties
Globularity: 0.0753524	Sterimol/B1: 2.40126	Sterimol/B2: 2.4813	Sterimol/B3: 4.89202
Sterimol/B4: 10.9417	Sterimol/L: 17.9412

Surface and Volume Properties
Accessible surface: 677.866	Positive charged surface: 437.398	Negative charged surface: 235.602	Volume: 386
Hydrophobic surface: 517.695	Hydrophilic surface: 160.171

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.