MMsINC Database Search


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MMsINC code: MMs03217344

Type: Neutral
Formula: C₂₇H₂₈N₄

SMILES:

Nc1ccc(cc1Cc1ccc(N)cc1)Cc1cc(Cc2ccc(N)cc2)c(N)cc1

InChI:

InChI=1/C27H28N4/c28-24-7-1-18(2-8-24)14-22-16-20(5-11-26(22)30)13-21-6-12-27(31)23(17-21)15-19-3-9-25(29)10-4-19/h1-12,16-17H,13-15,28-31H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.102 kcal/mol

Physical Properties
Molecular Weight: 408.549 g/mol	logS: -5.99064	SlogP: 4.78771	Reactive groups: 0

Topological Properties
Globularity: 0.0606529	Sterimol/B1: 2.82202	Sterimol/B2: 4.84408	Sterimol/B3: 5.38884
Sterimol/B4: 5.78178	Sterimol/L: 19.869

Surface and Volume Properties
Accessible surface: 716.879	Positive charged surface: 482.921	Negative charged surface: 233.958	Volume: 422.125
Hydrophobic surface: 517.663	Hydrophilic surface: 199.216

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 0	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.