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MMsINC code: MMs00692989

Type: Neutral
Formula: C₁₈H₂₈N₂O₂

SMILES:

O=C(NCCC(C)C)c1ccc(cc1)C(=O)NCCC(C)C

InChI:

InChI=1/C18H28N2O2/c1-13(2)9-11-19-17(21)15-5-7-16(8-6-15)18(22)20-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7392 kcal/mol

Physical Properties
Molecular Weight: 304.434 g/mol	logS: -4.79598	SlogP: 3.2384	Reactive groups: 0

Topological Properties
Globularity: 0.0185512	Sterimol/B1: 2.32747	Sterimol/B2: 3.84801	Sterimol/B3: 4.12214
Sterimol/B4: 5.62735	Sterimol/L: 20.2628

Surface and Volume Properties
Accessible surface: 636.064	Positive charged surface: 429.9	Negative charged surface: 206.163	Volume: 329
Hydrophobic surface: 466.034	Hydrophilic surface: 170.03

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.