MMsINC Database Search


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MMsINC code: MMs00975485

Type: Neutral
Formula: C₂₄H₁₉N₃

SMILES:

n1n(c2c(cnc3c2cccc3)c1-c1ccccc1)-c1cc(C)c(cc1)C

InChI:

InChI=1/C24H19N3/c1-16-12-13-19(14-17(16)2)27-24-20-10-6-7-11-22(20)25-15-21(24)23(26-27)18-8-4-3-5-9-18/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.613 kcal/mol

Physical Properties
Molecular Weight: 349.437 g/mol	logS: -7.31703	SlogP: 5.85754	Reactive groups: 0

Topological Properties
Globularity: 0.0526859	Sterimol/B1: 2.84186	Sterimol/B2: 3.80111	Sterimol/B3: 4.33511
Sterimol/B4: 8.96621	Sterimol/L: 16.1427

Surface and Volume Properties
Accessible surface: 609.704	Positive charged surface: 342.89	Negative charged surface: 255.782	Volume: 351.5
Hydrophobic surface: 571.827	Hydrophilic surface: 37.877

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.