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MMsINC code: MMs01825408

Type: Neutral
Formula: C₁₆H₂₄N₂O

SMILES:

O=C(Nc1ncccc1)CCCCCCCCC=C

InChI:

InChI=1/C16H24N2O/c1-2-3-4-5-6-7-8-9-13-16(19)18-15-12-10-11-14-17-15/h2,10-12,14H,1,3-9,13H2,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9624 kcal/mol

Physical Properties
Molecular Weight: 260.381 g/mol	logS: -4.61838	SlogP: 4.3269	Reactive groups: 0

Topological Properties
Globularity: 0.013103	Sterimol/B1: 2.24357	Sterimol/B2: 3.24936	Sterimol/B3: 3.71663
Sterimol/B4: 4.13468	Sterimol/L: 21.7652

Surface and Volume Properties
Accessible surface: 597.067	Positive charged surface: 435.771	Negative charged surface: 161.296	Volume: 288.5
Hydrophobic surface: 482.439	Hydrophilic surface: 114.628

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: no related molecules available.