MMsINC Database Search


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MMsINC code: MMs03494208

Type: Neutral
Formula: C₁₁H₁₃NO₄

SMILES:

O(C)c1cc(ccc1OC)C(=N)C(OC)=O

InChI:

InChI=1/C11H13NO4/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6,12H,1-3H3/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2022 kcal/mol

Physical Properties
Molecular Weight: 223.228 g/mol	logS: -2.39948	SlogP: 1.24467	Reactive groups: 0

Topological Properties
Globularity: 0.0309224	Sterimol/B1: 1.97708	Sterimol/B2: 2.77766	Sterimol/B3: 2.81287
Sterimol/B4: 7.57467	Sterimol/L: 13.9103

Surface and Volume Properties
Accessible surface: 438.964	Positive charged surface: 339.79	Negative charged surface: 99.1746	Volume: 210.5
Hydrophobic surface: 335.402	Hydrophilic surface: 103.562

Pharmacophoric Properties
Hydrogen bond donors: 1	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.