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MMsINC code: MMs01167186

Type: Neutral
Formula: C₁₆H₂₄N₂O₄

SMILES:

o1c(C)c(cc1C)C(=O)N1CCCCC1C(=O)NCCOC

InChI:

InChI=1/C16H24N2O4/c1-11-10-13(12(2)22-11)16(20)18-8-5-4-6-14(18)15(19)17-7-9-21-3/h10,14H,4-9H2,1-3H3,(H,17,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2795 kcal/mol

Physical Properties
Molecular Weight: 308.378 g/mol	logS: -2.71981	SlogP: 1.65374	Reactive groups: 0

Topological Properties
Globularity: 0.138897	Sterimol/B1: 2.19957	Sterimol/B2: 3.32754	Sterimol/B3: 6.23943
Sterimol/B4: 7.62604	Sterimol/L: 16.4541

Surface and Volume Properties
Accessible surface: 584.84	Positive charged surface: 443.326	Negative charged surface: 141.514	Volume: 303.25
Hydrophobic surface: 527.221	Hydrophilic surface: 57.619

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.