MMsINC Database Search


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MMsINC code: MMs02613527

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(cc(nc1-c1ccccc1)N1CCc2c(C1)cccc2)-c1ncccc1

InChI:

InChI=1/C24H20N4/c1-2-9-19(10-3-1)24-26-22(21-12-6-7-14-25-21)16-23(27-24)28-15-13-18-8-4-5-11-20(18)17-28/h1-12,14,16H,13,15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.819 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -6.26968	SlogP: 5.03467	Reactive groups: 0

Topological Properties
Globularity: 0.03039	Sterimol/B1: 2.49839	Sterimol/B2: 2.6905	Sterimol/B3: 4.00329
Sterimol/B4: 12.034	Sterimol/L: 16.353

Surface and Volume Properties
Accessible surface: 640.722	Positive charged surface: 384.27	Negative charged surface: 250.917	Volume: 364.25
Hydrophobic surface: 592.179	Hydrophilic surface: 48.543

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.