MMsINC Database Search


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MMsINC code: MMs02179042

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N1c2c(CCC1CCc1ccc(N(C)C)cc1)cccc2

InChI:

InChI=1/C19H24N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-6,8-9,13-14,17,20H,7,10-12H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.538 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.52553	SlogP: 4.11204	Reactive groups: 0

Topological Properties
Globularity: 0.0349339	Sterimol/B1: 3.18431	Sterimol/B2: 3.25209	Sterimol/B3: 3.58838
Sterimol/B4: 5.32446	Sterimol/L: 18.4045

Surface and Volume Properties
Accessible surface: 563.832	Positive charged surface: 411.12	Negative charged surface: 152.712	Volume: 306.5
Hydrophobic surface: 554.778	Hydrophilic surface: 9.054

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.