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MMsINC code: MMs02813527

Type: Ionized
Formula: C₁₄H₂₅N₂O₄-

SMILES:

O=C(NC(CC(C)C)C(=O)[O-])C(NC(=O)C)CC(C)C

InChI:

InChI=1/C14H26N2O4/c1-8(2)6-11(15-10(5)17)13(18)16-12(14(19)20)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3417 kcal/mol

Physical Properties
Molecular Weight: 285.364 g/mol	logS: -3.31817	SlogP: -0.182	Reactive groups: 0

Topological Properties
Globularity: 0.114802	Sterimol/B1: 2.64246	Sterimol/B2: 3.89424	Sterimol/B3: 4.55037
Sterimol/B4: 7.55227	Sterimol/L: 14.0356

Surface and Volume Properties
Accessible surface: 561.336	Positive charged surface: 362.744	Negative charged surface: 198.592	Volume: 294.625
Hydrophobic surface: 348.633	Hydrophilic surface: 212.703

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02813526
PUBCHEM-ZINC01532223