MMsINC Database Search


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

MMsINC code: MMs02363413

Type: Neutral
Formula: C₁₅H₁₆N₂O₄

SMILES:

O(C)c1cc(OC)ccc1NC(=O)Nc1cc(O)ccc1

InChI:

InChI=1/C15H16N2O4/c1-20-12-6-7-13(14(9-12)21-2)17-15(19)16-10-4-3-5-11(18)8-10/h3-9,18H,1-2H3,(H2,16,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1677 kcal/mol

Physical Properties
Molecular Weight: 288.303 g/mol	logS: -2.99086	SlogP: 3.0534	Reactive groups: 0

Topological Properties
Globularity: 0.0170344	Sterimol/B1: 1.969	Sterimol/B2: 2.42345	Sterimol/B3: 2.74457
Sterimol/B4: 8.73444	Sterimol/L: 15.602

Surface and Volume Properties
Accessible surface: 534.082	Positive charged surface: 379.298	Negative charged surface: 154.784	Volume: 270
Hydrophobic surface: 407.407	Hydrophilic surface: 126.675

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.