MMsINC Database Search


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MMsINC code: MMs00853282

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(C)c1c(C)c([nH]c1C)C(=O)NC1CCCCCC1

InChI:

InChI=1/C16H24N2O2/c1-10-14(12(3)19)11(2)17-15(10)16(20)18-13-8-6-4-5-7-9-13/h13,17H,4-9H2,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8105 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.89964	SlogP: 3.28674	Reactive groups: 0

Topological Properties
Globularity: 0.0597841	Sterimol/B1: 1.99013	Sterimol/B2: 3.40737	Sterimol/B3: 3.62687
Sterimol/B4: 6.98735	Sterimol/L: 16.1372

Surface and Volume Properties
Accessible surface: 537.246	Positive charged surface: 364.337	Negative charged surface: 172.908	Volume: 286.25
Hydrophobic surface: 445.628	Hydrophilic surface: 91.618

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: no related molecules available.