MMsINC Database Search


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MMsINC code: MMs02227269

Type: Neutral
Formula: C₁₉H₁₉N₃

SMILES:

n1nc(C)c(-c2ccccc2)c(N(C)C)c1-c1ccccc1

InChI:

InChI=1/C19H19N3/c1-14-17(15-10-6-4-7-11-15)19(22(2)3)18(21-20-14)16-12-8-5-9-13-16/h4-13H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.764 kcal/mol

Physical Properties
Molecular Weight: 289.382 g/mol	logS: -5.18192	SlogP: 4.18502	Reactive groups: 0

Topological Properties
Globularity: 0.128171	Sterimol/B1: 2.35713	Sterimol/B2: 3.19531	Sterimol/B3: 4.24462
Sterimol/B4: 7.40025	Sterimol/L: 14.7503

Surface and Volume Properties
Accessible surface: 516.461	Positive charged surface: 325.525	Negative charged surface: 188.181	Volume: 298.625
Hydrophobic surface: 478.694	Hydrophilic surface: 37.767

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.