MMsINC Database Search


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MMsINC code: MMs03027831

Type: Neutral
Formula: C₁₅H₂₄N₂

SMILES:

N(CCCN1CCc2c(CC1)cccc2)(C)C

InChI:

InChI=1/C15H24N2/c1-16(2)10-5-11-17-12-8-14-6-3-4-7-15(14)9-13-17/h3-4,6-7H,5,8-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0517 kcal/mol

Physical Properties
Molecular Weight: 232.371 g/mol	logS: -1.60133	SlogP: 2.03884	Reactive groups: 0

Topological Properties
Globularity: 0.0448508	Sterimol/B1: 2.71412	Sterimol/B2: 3.18305	Sterimol/B3: 3.19346
Sterimol/B4: 5.62895	Sterimol/L: 16.1768

Surface and Volume Properties
Accessible surface: 501.487	Positive charged surface: 404.721	Negative charged surface: 96.7663	Volume: 264.375
Hydrophobic surface: 497.43	Hydrophilic surface: 4.057

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs03027832
PUBCHEM-ZINC03631772