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MMsINC code: MMs02369291

Type: Neutral
Formula: C₁₅H₂₄N₂

SMILES:

N(CCN1CCC(CC1)Cc1ccccc1)C

InChI:

InChI=1/C15H24N2/c1-16-9-12-17-10-7-15(8-11-17)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5909 kcal/mol

Physical Properties
Molecular Weight: 232.371 g/mol	logS: -2.0269	SlogP: 2.16047	Reactive groups: 0

Topological Properties
Globularity: 0.0685009	Sterimol/B1: 2.95948	Sterimol/B2: 3.32918	Sterimol/B3: 3.54264
Sterimol/B4: 6.34861	Sterimol/L: 15.6391

Surface and Volume Properties
Accessible surface: 505.328	Positive charged surface: 401.709	Negative charged surface: 103.619	Volume: 262.375
Hydrophobic surface: 478.396	Hydrophilic surface: 26.932

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02369292
NCID-ZINC01764985