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MMsINC code: MMs00118337

Type: Neutral
Formula: C₁₈H₂₄N₂O₄

SMILES:

O1CCCC1CNC(=O)c1ccc(cc1)C(=O)NCC1OCCC1

InChI:

InChI=1/C18H24N2O4/c21-17(19-11-15-3-1-9-23-15)13-5-7-14(8-6-13)18(22)20-12-16-4-2-10-24-16/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,20,22)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3916 kcal/mol

Physical Properties
Molecular Weight: 332.4 g/mol	logS: -3.06718	SlogP: 1.5042	Reactive groups: 0

Topological Properties
Globularity: 0.0241968	Sterimol/B1: 2.42008	Sterimol/B2: 3.46047	Sterimol/B3: 3.58761
Sterimol/B4: 7.79507	Sterimol/L: 19.6285

Surface and Volume Properties
Accessible surface: 626.549	Positive charged surface: 452.75	Negative charged surface: 173.799	Volume: 326.625
Hydrophobic surface: 526.96	Hydrophilic surface: 99.589

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.