MMsINC Database Search


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MMsINC code: MMs02660268

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(C)(C)c1ccc(cc1)CCc1ccc(N)cc1

InChI:

InChI=1/C16H20N2/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,3-4,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3008 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.52447	SlogP: 3.11994	Reactive groups: 0

Topological Properties
Globularity: 0.017738	Sterimol/B1: 2.35493	Sterimol/B2: 2.52871	Sterimol/B3: 2.94529
Sterimol/B4: 4.89202	Sterimol/L: 17.1073

Surface and Volume Properties
Accessible surface: 511.558	Positive charged surface: 366.931	Negative charged surface: 144.627	Volume: 263.625
Hydrophobic surface: 449.998	Hydrophilic surface: 61.56

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.