MMsINC Database Search


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MMsINC code: MMs03260901

Type: Neutral
Formula: C₁₁H₁₄N₂O₃

SMILES:

O(C)c1ccccc1/C(=N/OC(=O)NC)/C

InChI:

InChI=1/C11H14N2O3/c1-8(13-16-11(14)12-2)9-6-4-5-7-10(9)15-3/h4-7H,1-3H3,(H,12,14)/b13-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.375 kcal/mol

Physical Properties
Molecular Weight: 222.244 g/mol	logS: -2.11208	SlogP: 1.7752	Reactive groups: 0

Topological Properties
Globularity: 0.167508	Sterimol/B1: 2.12355	Sterimol/B2: 2.19791	Sterimol/B3: 5.31676
Sterimol/B4: 7.32156	Sterimol/L: 13.0158

Surface and Volume Properties
Accessible surface: 461.54	Positive charged surface: 342.146	Negative charged surface: 119.394	Volume: 215
Hydrophobic surface: 379.285	Hydrophilic surface: 82.255

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.