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MMsINC code: MMs00482360

Type: Neutral
Formula: C₁₀H₁₆N₂O₇

SMILES:

OC(=O)C(NC(=O)C(N)CCC(O)=O)CCC(O)=O

InChI:

InChI=1/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.7294 kcal/mol

Physical Properties
Molecular Weight: 276.245 g/mol	logS: 0.39063	SlogP: -1.3873	Reactive groups: 0

Topological Properties
Globularity: 0.134461	Sterimol/B1: 3.503	Sterimol/B2: 4.21115	Sterimol/B3: 4.57569
Sterimol/B4: 5.49465	Sterimol/L: 14.7252

Surface and Volume Properties
Accessible surface: 500.841	Positive charged surface: 319.554	Negative charged surface: 181.287	Volume: 236.25
Hydrophobic surface: 134.897	Hydrophilic surface: 365.944

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 8	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

MMs00482361
BACHEM-ZINC01576487