MMsINC Database Search


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

MMsINC code: MMs00610189

Type: Neutral
Formula: C₁₆H₁₆ClNO₄

SMILES:

Clc1cc(NC(=O)c2ccccc2OC)c(OC)cc1OC

InChI:

InChI=1/C16H16ClNO4/c1-20-13-7-5-4-6-10(13)16(19)18-12-8-11(17)14(21-2)9-15(12)22-3/h4-9H,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.351 kcal/mol

Physical Properties
Molecular Weight: 321.76 g/mol	logS: -4.2403	SlogP: 3.6181	Reactive groups: 0

Topological Properties
Globularity: 0.0274603	Sterimol/B1: 2.35702	Sterimol/B2: 3.37	Sterimol/B3: 3.86109
Sterimol/B4: 7.58742	Sterimol/L: 15.8853

Surface and Volume Properties
Accessible surface: 560.021	Positive charged surface: 381.975	Negative charged surface: 178.046	Volume: 292.375
Hydrophobic surface: 517.064	Hydrophilic surface: 42.957

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.