MMsINC Database Search


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MMsINC code: MMs03026039

Type: Neutral
Formula: C₁₉H₂₈N₂

SMILES:

N=1c2cc(ccc2CCCC=1NC(C)C)C1CCCCC1

InChI:

InChI=1/C19H28N2/c1-14(2)20-19-10-6-9-16-11-12-17(13-18(16)21-19)15-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6255 kcal/mol

Physical Properties
Molecular Weight: 284.447 g/mol	logS: -5.5517	SlogP: 5.09857	Reactive groups: 0

Topological Properties
Globularity: 0.0784662	Sterimol/B1: 2.50076	Sterimol/B2: 2.79858	Sterimol/B3: 4.51277
Sterimol/B4: 8.49084	Sterimol/L: 15.0502

Surface and Volume Properties
Accessible surface: 569.015	Positive charged surface: 432.77	Negative charged surface: 136.245	Volume: 315.875
Hydrophobic surface: 511.432	Hydrophilic surface: 57.583

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.