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MMsINC code: MMs00483935

Type: Neutral
Formula: C₁₀H₁₆N₂O₆

SMILES:

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

InChI:

InChI=1/C10H16N2O6/c1-5(11-6(2)13)9(16)12-7(10(17)18)3-4-8(14)15/h5,7H,3-4H2,1-2H3,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t5-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.752 kcal/mol

Physical Properties
Molecular Weight: 260.246 g/mol	logS: -0.34562	SlogP: -1.0548	Reactive groups: 0

Topological Properties
Globularity: 0.0981784	Sterimol/B1: 2.06831	Sterimol/B2: 4.91783	Sterimol/B3: 4.93532
Sterimol/B4: 5.42881	Sterimol/L: 14.5261

Surface and Volume Properties
Accessible surface: 491.835	Positive charged surface: 302.887	Negative charged surface: 188.948	Volume: 227.875
Hydrophobic surface: 209.585	Hydrophilic surface: 282.25

Pharmacophoric Properties
Hydrogen bond donors: 6	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

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Ions/Tautomers related molecules

MMs00483936
BACHEM-ZINC02560824