MMsINC Database Search


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MMsINC code: MMs00482900

Type: Neutral
Formula: C₆H₁₀N₂O₅

SMILES:

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

InChI:

InChI=1/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1375 kcal/mol

Physical Properties
Molecular Weight: 190.155 g/mol	logS: 0.67193	SlogP: -2.0108	Reactive groups: 0

Topological Properties
Globularity: 0.065772	Sterimol/B1: 2.48863	Sterimol/B2: 3.12279	Sterimol/B3: 3.39903
Sterimol/B4: 4.29985	Sterimol/L: 12.7688

Surface and Volume Properties
Accessible surface: 376.199	Positive charged surface: 240.604	Negative charged surface: 135.595	Volume: 159.375
Hydrophobic surface: 83.79	Hydrophilic surface: 292.409

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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: 1

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Ions/Tautomers related molecules

MMs00482901
BACHEM-ZINC02384840