MMsINC Database Search


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MMsINC code: MMs01157433

Type: Neutral
Formula: C₂₄H₂₆FN₃O₃

SMILES:

Fc1ccc(-n2nc(cc2C(=O)NC2CCCCC2)-c2ccc(OC)cc2OC)cc1

InChI:

InChI=1/C24H26FN3O3/c1-30-19-12-13-20(23(14-19)31-2)21-15-22(24(29)26-17-6-4-3-5-7-17)28(27-21)18-10-8-16(25)9-11-18/h8-15,17H,3-7H2,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.769 kcal/mol

Physical Properties
Molecular Weight: 423.488 g/mol	logS: -6.0999	SlogP: 4.7581	Reactive groups: 0

Topological Properties
Globularity: 0.0414544	Sterimol/B1: 1.969	Sterimol/B2: 3.59151	Sterimol/B3: 3.76811
Sterimol/B4: 12.2133	Sterimol/L: 17.9252

Surface and Volume Properties
Accessible surface: 730.147	Positive charged surface: 507.279	Negative charged surface: 222.867	Volume: 402.75
Hydrophobic surface: 678.619	Hydrophilic surface: 51.528

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.