MMsINC Database Search


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MMsINC code: MMs02644318

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N1(CCN(CC1)Cc1cc(ccc1C)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.763 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.07476	SlogP: 3.89204	Reactive groups: 0

Topological Properties
Globularity: 0.0959679	Sterimol/B1: 2.28393	Sterimol/B2: 3.88534	Sterimol/B3: 3.96731
Sterimol/B4: 7.29682	Sterimol/L: 16.1235

Surface and Volume Properties
Accessible surface: 548.699	Positive charged surface: 372.111	Negative charged surface: 176.589	Volume: 307.25
Hydrophobic surface: 530.336	Hydrophilic surface: 18.363

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02644319
PUBCHEM-ZINC00239725