MMsINC Database Search


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

MMsINC code: MMs02821604

Type: Neutral
Formula: C₁₉H₁₇NO₄

SMILES:

O(C)c1cc(OC)ccc1NC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C19H17NO4/c1-23-14-7-8-16(18(11-14)24-2)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.951 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -4.97156	SlogP: 3.8149	Reactive groups: 0

Topological Properties
Globularity: 0.0205216	Sterimol/B1: 2.4678	Sterimol/B2: 3.43908	Sterimol/B3: 3.56383
Sterimol/B4: 7.37083	Sterimol/L: 18.1993

Surface and Volume Properties
Accessible surface: 570.735	Positive charged surface: 380.526	Negative charged surface: 178.832	Volume: 306.125
Hydrophobic surface: 485.833	Hydrophilic surface: 84.902

Pharmacophoric Properties
Hydrogen bond donors: 2	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.