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MMsINC code: MMs03133594

Type: Neutral
Formula: C₁₀H₁₈N₂O₅

SMILES:

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

InChI:

InChI=1/C10H18N2O5/c1-5(2)3-6(11)9(15)12-7(10(16)17)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.117 kcal/mol

Physical Properties
Molecular Weight: 246.263 g/mol	logS: -0.88749	SlogP: -0.5961	Reactive groups: 0

Topological Properties
Globularity: 0.111047	Sterimol/B1: 1.969	Sterimol/B2: 4.60225	Sterimol/B3: 4.7971
Sterimol/B4: 5.44498	Sterimol/L: 13.0971

Surface and Volume Properties
Accessible surface: 472.735	Positive charged surface: 314.717	Negative charged surface: 158.019	Volume: 227.125
Hydrophobic surface: 177.783	Hydrophilic surface: 294.952

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

MMs03133595
PUBCHEM-ZINC04556701