MMsINC Database Search


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MMsINC code: MMs02630685

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

Nc1cc(C)c(cc1)C(C)c1ccc(N)cc1C

InChI:

InChI=1/C16H20N2/c1-10-8-13(17)4-6-15(10)12(3)16-7-5-14(18)9-11(16)2/h4-9,12H,17-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.291 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -4.40608	SlogP: 3.61964	Reactive groups: 0

Topological Properties
Globularity: 0.202877	Sterimol/B1: 2.17161	Sterimol/B2: 2.43842	Sterimol/B3: 5.26947
Sterimol/B4: 6.80981	Sterimol/L: 13.1919

Surface and Volume Properties
Accessible surface: 473.947	Positive charged surface: 307.188	Negative charged surface: 166.76	Volume: 257.625
Hydrophobic surface: 332.244	Hydrophilic surface: 141.703

Pharmacophoric Properties
Hydrogen bond donors: 2	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.