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MMsINC code: MMs01819251

Type: Neutral
Formula: C₂₀H₃₀N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)NN\C\1=C/CCCCCCCCCC/1

InChI:

InChI=1/C20H30N2O2/c1-24-19-15-11-12-17(16-19)20(23)22-21-18-13-9-7-5-3-2-4-6-8-10-14-18/h11-13,15-16,21H,2-10,14H2,1H3,(H,22,23)/b18-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.981 kcal/mol

Physical Properties
Molecular Weight: 330.472 g/mol	logS: -5.57104	SlogP: 4.7281	Reactive groups: 0

Topological Properties
Globularity: 0.030383	Sterimol/B1: 2.99249	Sterimol/B2: 3.34725	Sterimol/B3: 4.76914
Sterimol/B4: 5.37555	Sterimol/L: 19.0999

Surface and Volume Properties
Accessible surface: 611.841	Positive charged surface: 428.124	Negative charged surface: 183.717	Volume: 351.875
Hydrophobic surface: 533.433	Hydrophilic surface: 78.408

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: 0

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Ions/Tautomers related molecules: no related molecules available.