MMsINC Database Search


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MMsINC code: MMs03410528

Type: Neutral
Formula: C₁₉H₂₅N₃

SMILES:

N(CC)(CC)c1ccc(cc1)C(=N)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H25N3/c1-5-22(6-2)18-13-9-16(10-14-18)19(20)15-7-11-17(12-8-15)21(3)4/h7-14,20H,5-6H2,1-4H3/b20-19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.013 kcal/mol

Physical Properties
Molecular Weight: 295.43 g/mol	logS: -4.16769	SlogP: 4.01497	Reactive groups: 0

Topological Properties
Globularity: 0.0653459	Sterimol/B1: 1.97158	Sterimol/B2: 4.77398	Sterimol/B3: 5.06571
Sterimol/B4: 5.81673	Sterimol/L: 16.8154

Surface and Volume Properties
Accessible surface: 585.16	Positive charged surface: 424.961	Negative charged surface: 160.199	Volume: 323.25
Hydrophobic surface: 479.944	Hydrophilic surface: 105.216

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.