MMsINC Database Search


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MMsINC code: MMs02706628

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(CC)(CC)c1ccc(NCc2ccc(cc2)C)cc1

InChI:

InChI=1/C18H24N2/c1-4-20(5-2)18-12-10-17(11-13-18)19-14-16-8-6-15(3)7-9-16/h6-13,19H,4-5,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3928 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -4.00499	SlogP: 4.71972	Reactive groups: 0

Topological Properties
Globularity: 0.0422296	Sterimol/B1: 2.33617	Sterimol/B2: 2.94909	Sterimol/B3: 4.0316
Sterimol/B4: 6.66842	Sterimol/L: 17.2866

Surface and Volume Properties
Accessible surface: 566.168	Positive charged surface: 376.65	Negative charged surface: 189.518	Volume: 303.5
Hydrophobic surface: 489.657	Hydrophilic surface: 76.511

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.