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MMsINC code: MMs03133582

Type: Neutral
Formula: C₁₀H₁₉N₃O₄

SMILES:

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

InChI:

InChI=1/C10H19N3O4/c1-5(2)3-6(11)9(15)13-7(10(16)17)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(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)=37.79 kcal/mol

Physical Properties
Molecular Weight: 245.279 g/mol	logS: -1.17021	SlogP: -1.1954	Reactive groups: 0

Topological Properties
Globularity: 0.147573	Sterimol/B1: 2.58073	Sterimol/B2: 2.94499	Sterimol/B3: 5.21387
Sterimol/B4: 6.68247	Sterimol/L: 13.1901

Surface and Volume Properties
Accessible surface: 478.631	Positive charged surface: 334.112	Negative charged surface: 144.52	Volume: 231.5
Hydrophobic surface: 176.057	Hydrophilic surface: 302.574

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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: no related molecules available.