MMsINC Database Search


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MMsINC code: MMs00598136

Type: Neutral
Formula: C₁₈H₂₂N₂

SMILES:

Nc1ccc(cc1)C1(CCCCC1)c1ccc(N)cc1

InChI:

InChI=1/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.242 kcal/mol

Physical Properties
Molecular Weight: 266.388 g/mol	logS: -5.41708	SlogP: 4.1012	Reactive groups: 0

Topological Properties
Globularity: 0.231702	Sterimol/B1: 2.51794	Sterimol/B2: 4.3483	Sterimol/B3: 4.96027
Sterimol/B4: 6.41382	Sterimol/L: 12.9214

Surface and Volume Properties
Accessible surface: 498.953	Positive charged surface: 350.879	Negative charged surface: 148.073	Volume: 281
Hydrophobic surface: 375.53	Hydrophilic surface: 123.423

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.