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MMsINC code: MMs02813935

Type: Ionized
Formula: C₁₁H₁₉N₄O₆-

SMILES:

O=C(N)CN(CC([NH+](CC(=O)N)CC(=O)[O-])C)CC(=O)[O-]

InChI:

InChI=1/C11H20N4O6/c1-7(15(4-9(13)17)6-11(20)21)2-14(3-8(12)16)5-10(18)19/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,18,19)(H,20,21)/p-1/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8685 kcal/mol

Physical Properties
Molecular Weight: 303.295 g/mol	logS: -0.75884	SlogP: -6.9678	Reactive groups: 0

Topological Properties
Globularity: 0.138143	Sterimol/B1: 2.21985	Sterimol/B2: 2.83031	Sterimol/B3: 4.59995
Sterimol/B4: 6.82879	Sterimol/L: 13.2831

Surface and Volume Properties
Accessible surface: 479.301	Positive charged surface: 292.064	Negative charged surface: 187.237	Volume: 266.5
Hydrophobic surface: 155.682	Hydrophilic surface: 323.619

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 4	Basic groups: 1
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: 0

search links for this molecule:

Parent related molecule:

MMs02813934
PUBCHEM-ZINC01537166