MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02853722

Type: Neutral
Formula: C₁₀H₁₁NO₄

SMILES:

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

InChI:

InChI=1/C10H11NO4/c1-7(12)11-8-3-5-9(6-4-8)15-10(13)14-2/h3-6H,1-2H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.901 kcal/mol

Physical Properties
Molecular Weight: 209.201 g/mol	logS: -2.01731	SlogP: 1.7902	Reactive groups: 0

Topological Properties
Globularity: 0.0562328	Sterimol/B1: 2.5191	Sterimol/B2: 3.04242	Sterimol/B3: 4.0129
Sterimol/B4: 4.25992	Sterimol/L: 15.0252

Surface and Volume Properties
Accessible surface: 423.542	Positive charged surface: 274.472	Negative charged surface: 149.07	Volume: 193.25
Hydrophobic surface: 314.395	Hydrophilic surface: 109.147

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.