MMsINC Database Search


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

MMsINC code: MMs02219978

Type: Neutral
Formula: C₁₉H₁₄ClNO₄

SMILES:

Clc1cc2c(nc(C(OC)=O)c(C(OC)=O)c2-c2ccccc2)cc1

InChI:

InChI=1/C19H14ClNO4/c1-24-18(22)16-15(11-6-4-3-5-7-11)13-10-12(20)8-9-14(13)21-17(16)19(23)25-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9996 kcal/mol

Physical Properties
Molecular Weight: 355.777 g/mol	logS: -6.05047	SlogP: 4.1284	Reactive groups: 0

Topological Properties
Globularity: 0.0766387	Sterimol/B1: 2.00631	Sterimol/B2: 2.68566	Sterimol/B3: 4.02067
Sterimol/B4: 10.9686	Sterimol/L: 14.3136

Surface and Volume Properties
Accessible surface: 576.827	Positive charged surface: 343.724	Negative charged surface: 228.054	Volume: 316.125
Hydrophobic surface: 497.512	Hydrophilic surface: 79.315

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.