MMsINC Database Search


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

MMsINC code: MMs02213339

Type: Neutral
Formula: C₁₄H₂₄N₄O₆

SMILES:

O=C1NC(CCCN(O)C(=O)C)C(=O)NC1CCCN(O)C(=O)C

InChI:

InChI=1/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)/t11-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.532 kcal/mol

Physical Properties
Molecular Weight: 344.368 g/mol	logS: -0.85824	SlogP: -0.9946	Reactive groups: 0

Topological Properties
Globularity: 0.063273	Sterimol/B1: 2.80495	Sterimol/B2: 4.18705	Sterimol/B3: 4.4633
Sterimol/B4: 5.29316	Sterimol/L: 19.2413

Surface and Volume Properties
Accessible surface: 604.765	Positive charged surface: 391.127	Negative charged surface: 213.639	Volume: 314.25
Hydrophobic surface: 333.654	Hydrophilic surface: 271.111

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.