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MMsINC code: MMs02487817

Type: Neutral
Formula: C₁₁H₁₉N₃O₆

SMILES:

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

InChI:

InChI=1/C11H19N3O6/c1-5(9(17)14-6(2)11(19)20)13-10(18)7(12)3-4-8(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)/t5-,6+,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8942 kcal/mol

Physical Properties
Molecular Weight: 289.288 g/mol	logS: -0.35683	SlogP: -1.7275	Reactive groups: 0

Topological Properties
Globularity: 0.06544	Sterimol/B1: 2.0454	Sterimol/B2: 4.02248	Sterimol/B3: 4.20864
Sterimol/B4: 5.0821	Sterimol/L: 17.3481

Surface and Volume Properties
Accessible surface: 538.809	Positive charged surface: 347.44	Negative charged surface: 191.369	Volume: 261
Hydrophobic surface: 186.167	Hydrophilic surface: 352.642

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs02487818
NCID-ZINC05706990