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MMsINC code: MMs02843220

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O1CCN(CC1)CCOc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1

InChI:

InChI=1/C20H24N2O4/c23-19-17-6-1-2-7-18(17)20(24)22(19)15-4-3-5-16(14-15)26-13-10-21-8-11-25-12-9-21/h3-5,14H,1-2,6-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8931 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.725	SlogP: 2.1414	Reactive groups: 1

Topological Properties
Globularity: 0.0484216	Sterimol/B1: 2.52811	Sterimol/B2: 3.98539	Sterimol/B3: 4.17842
Sterimol/B4: 8.27754	Sterimol/L: 17.5325

Surface and Volume Properties
Accessible surface: 628.128	Positive charged surface: 465.575	Negative charged surface: 162.553	Volume: 340
Hydrophobic surface: 540.82	Hydrophilic surface: 87.308

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs02843221
PUBCHEM-ZINC02000936