MMsINC Database Search


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MMsINC code: MMs02304723

Type: Neutral
Formula: C₁₂H₂₄N₂O₅

SMILES:

O(CCOC(=O)NC(C)C)CCOC(=O)NC(C)C

InChI:

InChI=1/C12H24N2O5/c1-9(2)13-11(15)18-7-5-17-6-8-19-12(16)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.90679 kcal/mol

Physical Properties
Molecular Weight: 276.333 g/mol	logS: -1.5408	SlogP: 1.2722	Reactive groups: 0

Topological Properties
Globularity: 0.0588481	Sterimol/B1: 2.19315	Sterimol/B2: 2.70125	Sterimol/B3: 4.34207
Sterimol/B4: 7.72165	Sterimol/L: 17.5995

Surface and Volume Properties
Accessible surface: 600.843	Positive charged surface: 464.221	Negative charged surface: 136.621	Volume: 277.875
Hydrophobic surface: 398.999	Hydrophilic surface: 201.844

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.