MMsINC Database Search


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MMsINC code: MMs02613456

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(cc(nc1-c1cccnc1)N1CCc2c(C1)cccc2)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.04 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -6.30088	SlogP: 5.03467	Reactive groups: 0

Topological Properties
Globularity: 0.0307354	Sterimol/B1: 2.49723	Sterimol/B2: 3.26742	Sterimol/B3: 3.42408
Sterimol/B4: 12.0521	Sterimol/L: 16.4117

Surface and Volume Properties
Accessible surface: 637.042	Positive charged surface: 383.371	Negative charged surface: 242.599	Volume: 365.25
Hydrophobic surface: 585.81	Hydrophilic surface: 51.232

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.