MMsINC Database Search


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MMsINC code: MMs01995245

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(CCNc1ccc(cc1C)C)c1ccc(cc1C)C

InChI:

InChI=1/C18H24N2/c1-13-5-7-17(15(3)11-13)19-9-10-20-18-8-6-14(2)12-16(18)4/h5-8,11-12,19-20H,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3355 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -4.04092	SlogP: 4.44428	Reactive groups: 0

Topological Properties
Globularity: 0.00996013	Sterimol/B1: 2.50903	Sterimol/B2: 2.5122	Sterimol/B3: 3.6563
Sterimol/B4: 5.7055	Sterimol/L: 18.5306

Surface and Volume Properties
Accessible surface: 576.375	Positive charged surface: 374.424	Negative charged surface: 201.951	Volume: 302
Hydrophobic surface: 558.74	Hydrophilic surface: 17.635

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.