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MMsINC code: MMs00311043

Type: Neutral
Formula: C₂₀H₃₀N₄O₄

SMILES:

O1CCN(CC1)CCNC(=O)c1cc(ccc1)C(=O)NCCN1CCOCC1

InChI:

InChI=1/C20H30N4O4/c25-19(21-4-6-23-8-12-27-13-9-23)17-2-1-3-18(16-17)20(26)22-5-7-24-10-14-28-15-11-24/h1-3,16H,4-15H2,(H,21,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.589 kcal/mol

Physical Properties
Molecular Weight: 390.484 g/mol	logS: -2.05588	SlogP: -0.1894	Reactive groups: 0

Topological Properties
Globularity: 0.014852	Sterimol/B1: 2.56382	Sterimol/B2: 3.2642	Sterimol/B3: 3.26491
Sterimol/B4: 6.35442	Sterimol/L: 24.1824

Surface and Volume Properties
Accessible surface: 708.792	Positive charged surface: 560.628	Negative charged surface: 148.164	Volume: 380.625
Hydrophobic surface: 594.324	Hydrophilic surface: 114.468

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs00311044
ASINEX-ZINC04151051