MMsINC Database Search


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MMsINC code: MMs02689887

Type: Neutral
Formula: C₁₉H₂₀N₄

SMILES:

N(C)(C)c1ccc(cc1)C(C#N)(C#N)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H20N4/c1-22(2)17-9-5-15(6-10-17)19(13-20,14-21)16-7-11-18(12-8-16)23(3)4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.538 kcal/mol

Physical Properties
Molecular Weight: 304.397 g/mol	logS: -3.54649	SlogP: 3.15187	Reactive groups: 0

Topological Properties
Globularity: 0.118137	Sterimol/B1: 2.41396	Sterimol/B2: 2.85593	Sterimol/B3: 5.72472
Sterimol/B4: 7.58495	Sterimol/L: 15.9903

Surface and Volume Properties
Accessible surface: 567.204	Positive charged surface: 387.408	Negative charged surface: 179.797	Volume: 319.375
Hydrophobic surface: 456.893	Hydrophilic surface: 110.311

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.