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MMsINC code: MMs00383115

Type: Neutral
Formula: C₁₇H₂₂N₂O₂

SMILES:

O=C(N\C(=C\c1ccccc1)\C(=O)N1CCCCCC1)C

InChI:

InChI=1/C17H22N2O2/c1-14(20)18-16(13-15-9-5-4-6-10-15)17(21)19-11-7-2-3-8-12-19/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,20)/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.342 kcal/mol

Physical Properties
Molecular Weight: 286.375 g/mol	logS: -3.13224	SlogP: 2.5662	Reactive groups: 0

Topological Properties
Globularity: 0.123068	Sterimol/B1: 2.19147	Sterimol/B2: 4.19673	Sterimol/B3: 4.27344
Sterimol/B4: 7.95244	Sterimol/L: 14.5283

Surface and Volume Properties
Accessible surface: 519.413	Positive charged surface: 337.808	Negative charged surface: 181.605	Volume: 292.25
Hydrophobic surface: 468.35	Hydrophilic surface: 51.063

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.