MMsINC Database Search


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MMsINC code: MMs00455901

Type: Neutral
Formula: C₁₂H₁₅N₃O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(NC(=O)N)C)cc1)C

InChI:

InChI=1/C12H15N3O4/c1-7(14-12(13)18)10(16)15-9-5-3-8(4-6-9)11(17)19-2/h3-7H,1-2H3,(H,15,16)(H3,13,14,18)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5544 kcal/mol

Physical Properties
Molecular Weight: 265.269 g/mol	logS: -2.41569	SlogP: 0.4685	Reactive groups: 0

Topological Properties
Globularity: 0.0372432	Sterimol/B1: 2.22082	Sterimol/B2: 3.24529	Sterimol/B3: 4.1867
Sterimol/B4: 5.02739	Sterimol/L: 16.7752

Surface and Volume Properties
Accessible surface: 511.865	Positive charged surface: 343.384	Negative charged surface: 168.481	Volume: 242.625
Hydrophobic surface: 290.224	Hydrophilic surface: 221.641

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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: no related molecules available.