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MMsINC code: MMs03196012

Type: Neutral
Formula: C₁₄H₂₆N₂O

SMILES:

O=C(NC1CCCCC1)CN1CCC(CC1)C

InChI:

InChI=1/C14H26N2O/c1-12-7-9-16(10-8-12)11-14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.889 kcal/mol

Physical Properties
Molecular Weight: 238.375 g/mol	logS: -2.40151	SlogP: 2.1672	Reactive groups: 0

Topological Properties
Globularity: 0.04592	Sterimol/B1: 2.83121	Sterimol/B2: 2.84279	Sterimol/B3: 3.66299
Sterimol/B4: 5.17263	Sterimol/L: 16.1127

Surface and Volume Properties
Accessible surface: 502.557	Positive charged surface: 416.54	Negative charged surface: 86.017	Volume: 261
Hydrophobic surface: 443.559	Hydrophilic surface: 58.998

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

MMs03196013
PUBCHEM-ZINC05064301