MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01887460

Type: Neutral
Formula: C₁₄H₂₀N₄O₄

SMILES:

O1CCN(CC1)CCN\C=C/1\C(=O)N(CC=C)C(=O)NC\1=O

InChI:

InChI=1/C14H20N4O4/c1-2-4-18-13(20)11(12(19)16-14(18)21)10-15-3-5-17-6-8-22-9-7-17/h2,10,15H,1,3-9H2,(H,16,19,21)/b11-10-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7422 kcal/mol

Physical Properties
Molecular Weight: 308.338 g/mol	logS: -1.1565	SlogP: -0.9435	Reactive groups: 0

Topological Properties
Globularity: 0.038165	Sterimol/B1: 2.097	Sterimol/B2: 2.43973	Sterimol/B3: 3.98067
Sterimol/B4: 7.91097	Sterimol/L: 16.4867

Surface and Volume Properties
Accessible surface: 558.69	Positive charged surface: 406.401	Negative charged surface: 152.289	Volume: 284.75
Hydrophobic surface: 341.927	Hydrophilic surface: 216.763

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules

MMs01887463
IBS-ZINC04625163