MMsINC Database Search


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MMsINC code: MMs03107890

Type: Neutral
Formula: C₁₉H₂₀N₄

SMILES:

n1cncc(-c2ccc(N(C)C)cc2)c1NCc1ccccc1

InChI:

InChI=1/C19H20N4/c1-23(2)17-10-8-16(9-11-17)18-13-20-14-22-19(18)21-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6392 kcal/mol

Physical Properties
Molecular Weight: 304.397 g/mol	logS: -4.51715	SlogP: 4.0881	Reactive groups: 0

Topological Properties
Globularity: 0.115267	Sterimol/B1: 3.0974	Sterimol/B2: 4.29383	Sterimol/B3: 5.22555
Sterimol/B4: 7.79223	Sterimol/L: 13.1371

Surface and Volume Properties
Accessible surface: 583.059	Positive charged surface: 426.845	Negative charged surface: 152.188	Volume: 316.625
Hydrophobic surface: 510.626	Hydrophilic surface: 72.433

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

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Ions/Tautomers related molecules: no related molecules available.