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MMsINC code: MMs03099264

Type: Neutral
Formula: C₁₅H₃₂N₂O₂

SMILES:

O(C(C)(C)C)C(=O)NCCCCCCCCCCN

InChI:

InChI=1/C15H32N2O2/c1-15(2,3)19-14(18)17-13-11-9-7-5-4-6-8-10-12-16/h4-13,16H2,1-3H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.13859 kcal/mol

Physical Properties
Molecular Weight: 272.433 g/mol	logS: -3.38088	SlogP: 3.5906	Reactive groups: 0

Topological Properties
Globularity: 0.0191519	Sterimol/B1: 2.3255	Sterimol/B2: 2.42412	Sterimol/B3: 4.00168
Sterimol/B4: 4.91137	Sterimol/L: 22.9594

Surface and Volume Properties
Accessible surface: 630.556	Positive charged surface: 507.967	Negative charged surface: 122.589	Volume: 309.375
Hydrophobic surface: 459.266	Hydrophilic surface: 171.29

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03099265
PUBCHEM-ZINC04202978