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MMsINC code: MMs03131587

Type: Neutral
Formula: C₁₀H₁₆N₂O₅

SMILES:

O1C(CO)C(O)CC1N1CC(C)C(=O)NC1=O

InChI:

InChI=1/C10H16N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h5-8,13-14H,2-4H2,1H3,(H,11,15,16)/t5-,6+,7+,8+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.91096 kcal/mol

Physical Properties
Molecular Weight: 244.247 g/mol	logS: -0.08708	SlogP: -1.3575	Reactive groups: 0

Topological Properties
Globularity: 0.114058	Sterimol/B1: 2.51272	Sterimol/B2: 2.85607	Sterimol/B3: 4.06913
Sterimol/B4: 5.82085	Sterimol/L: 12.4016

Surface and Volume Properties
Accessible surface: 437.465	Positive charged surface: 319.302	Negative charged surface: 118.163	Volume: 214.375
Hydrophobic surface: 215.137	Hydrophilic surface: 222.328

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.