MMsINC Database Search


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MMsINC code: MMs00396689

Type: Neutral
Formula: C₁₁H₁₄N₂O₄

SMILES:

O(C)c1ccc(cc1)C(=O)NNC(=O)COC

InChI:

InChI=1/C11H14N2O4/c1-16-7-10(14)12-13-11(15)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.6834 kcal/mol

Physical Properties
Molecular Weight: 238.243 g/mol	logS: -2.00852	SlogP: 0.1026	Reactive groups: 0

Topological Properties
Globularity: 0.00800755	Sterimol/B1: 2.37496	Sterimol/B2: 2.376	Sterimol/B3: 2.58933
Sterimol/B4: 5.31679	Sterimol/L: 17.2325

Surface and Volume Properties
Accessible surface: 481.755	Positive charged surface: 337.712	Negative charged surface: 144.043	Volume: 220
Hydrophobic surface: 353.724	Hydrophilic surface: 128.031

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.