MMsINC Database Search


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MMsINC code: MMs00405159

Type: Neutral
Formula: C₁₅H₁₇N₃O₄

SMILES:

O=C/1N(CC(OC)=O)C(=O)N\C\1=C\c1ccc(N(C)C)cc1

InChI:

InChI=1/C15H17N3O4/c1-17(2)11-6-4-10(5-7-11)8-12-14(20)18(15(21)16-12)9-13(19)22-3/h4-8H,9H2,1-3H3,(H,16,21)/b12-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7785 kcal/mol

Physical Properties
Molecular Weight: 303.318 g/mol	logS: -2.70934	SlogP: 0.8183	Reactive groups: 1

Topological Properties
Globularity: 0.0885469	Sterimol/B1: 2.52469	Sterimol/B2: 4.08613	Sterimol/B3: 4.59085
Sterimol/B4: 6.04073	Sterimol/L: 15.5091

Surface and Volume Properties
Accessible surface: 550.318	Positive charged surface: 408.692	Negative charged surface: 141.626	Volume: 284.125
Hydrophobic surface: 408.334	Hydrophilic surface: 141.984

Pharmacophoric Properties
Hydrogen bond donors: 1	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.