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MMsINC code: MMs01896354

Type: Neutral
Formula: C₁₅H₁₅NO₄

SMILES:

O1C(=O)C(=NC1=C)Cc1cc(OC)c(OCC=C)cc1

InChI:

InChI=1/C15H15NO4/c1-4-7-19-13-6-5-11(9-14(13)18-3)8-12-15(17)20-10(2)16-12/h4-6,9H,1-2,7-8H2,3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7134 kcal/mol

Physical Properties
Molecular Weight: 273.288 g/mol	logS: -3.93798	SlogP: 2.27147	Reactive groups: 1

Topological Properties
Globularity: 0.156047	Sterimol/B1: 2.097	Sterimol/B2: 2.097	Sterimol/B3: 6.37774
Sterimol/B4: 7.79263	Sterimol/L: 15.5091

Surface and Volume Properties
Accessible surface: 536.157	Positive charged surface: 342.866	Negative charged surface: 193.292	Volume: 260.5
Hydrophobic surface: 331.298	Hydrophilic surface: 204.859

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs01896355
IBS-ZINC04812841