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MMsINC code: MMs02813530

Type: Neutral
Formula: C₁₄H₂₆N₂O₄

SMILES:

OC(=O)C(NC(=O)C(NC(=O)C)CC(C)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)/t11-,12+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4747 kcal/mol

Physical Properties
Molecular Weight: 286.372 g/mol	logS: -3.05772	SlogP: 1.1527	Reactive groups: 0

Topological Properties
Globularity: 0.13723	Sterimol/B1: 2.04384	Sterimol/B2: 3.75973	Sterimol/B3: 3.94674
Sterimol/B4: 8.18155	Sterimol/L: 13.7591

Surface and Volume Properties
Accessible surface: 551.077	Positive charged surface: 366.566	Negative charged surface: 184.511	Volume: 289.5
Hydrophobic surface: 326.55	Hydrophilic surface: 224.527

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02813531
PUBCHEM-ZINC01532225