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MMsINC code: MMs03495852

Type: Neutral
Formula: C₁₁H₂₀N₄O₆

SMILES:

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

InChI:

InChI=1/C11H20N4O6/c1-7(15(4-9(13)17)6-11(20)21)2-14(3-8(12)16)5-10(18)19/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,18,19)(H,20,21)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=202.391 kcal/mol

Physical Properties
Molecular Weight: 304.303 g/mol	logS: -0.26233	SlogP: -2.8813	Reactive groups: 0

Topological Properties
Globularity: 0.313646	Sterimol/B1: 2.42897	Sterimol/B2: 3.03195	Sterimol/B3: 5.87232
Sterimol/B4: 7.32748	Sterimol/L: 12.9853

Surface and Volume Properties
Accessible surface: 490.009	Positive charged surface: 339.106	Negative charged surface: 150.903	Volume: 260.625
Hydrophobic surface: 135.106	Hydrophilic surface: 354.903

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03495853
PUBCHEM-ZINC06020711