MMsINC Database Search


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MMsINC code: MMs02311241

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

Nc1c(C)c(C)c(cc1C)-c1ccc(N)cc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7559 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -4.5218	SlogP: 3.75168	Reactive groups: 0

Topological Properties
Globularity: 0.124334	Sterimol/B1: 2.35995	Sterimol/B2: 3.48357	Sterimol/B3: 5.41558
Sterimol/B4: 5.86687	Sterimol/L: 13.7009

Surface and Volume Properties
Accessible surface: 477.318	Positive charged surface: 320.704	Negative charged surface: 155.489	Volume: 259.25
Hydrophobic surface: 373.455	Hydrophilic surface: 103.863

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.